Caffeine
CAS No. 58-08-2
1,3,7-Trimethylpurine-2,6-dione
C8H10N4O2 · MW 194.19
Caffeine (CAS 58-08-2) is a heterocyclic compounds building block with the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. It is supplied for pharmaceutical intermediate manufacturing, custom synthesis programmes and analytical research, with documentation and quality data available on request.
Chemical Structure
Quick Chemical Facts
CAS Number
58-08-2
Chemical Name
Caffeine
IUPAC Name
1,3,7-Trimethylpurine-2,6-dione
Molecular Formula
C8H10N4O2
Molecular Weight
194.19 g/mol
Category
Heterocyclic Compounds
Caffeine structure
- SMILES
- Cn1cnc2c1c(=O)n(C)c(=O)n2C
About Caffeine
Caffeine (CAS 58-08-2) is a heterocyclic compounds building block with the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. It is supplied for pharmaceutical intermediate manufacturing, custom synthesis programmes and analytical research, with documentation and quality data available on request.
Chemical Properties
| Molecular Formula | C8H10N4O2 |
|---|---|
| Molecular Weight | 194.19 g/mol |
Chemical Identifiers
| CAS Number | 58-08-2 |
|---|---|
| Chemical Name | Caffeine |
| IUPAC Name | 1,3,7-Trimethylpurine-2,6-dione |
| SMILES | Cn1cnc2c1c(=O)n(C)c(=O)n2C |
| Category | Heterocyclic Compounds |
Synonyms
- Guaranine
- Theine
Applications — Caffeine
Pharmaceutical Applications
Used as an intermediate or reagent in the preparation of active pharmaceutical ingredients and drug intermediates where Caffeine is required at controlled purity.
Laboratory Applications
Applied in medicinal chemistry, route scouting and analytical reference work at gram to kilogram scale.
Industrial Applications
Employed in fine chemical and specialty manufacturing processes that consume Caffeine as a raw material.
Available Products
CRO & CDMO Support
Our team supports custom synthesis, process development and scale-up for pharmaceutical chemistry programmes.
Related Compounds
Related Knowledge Articles
Quality Control of Pharmaceutical Intermediates
Identity, assay, impurity profile and residual solvents are the four pillars.
Fluorinated Building Blocks in Drug Design
Fluorine substitution changes metabolic stability, acidity and binding.
Choosing a CRO or CDMO Partner
Evaluation criteria for outsourcing synthesis and manufacturing.
Frequently Asked Questions
What is Caffeine?
Caffeine (CAS 58-08-2) is a heterocyclic compounds building block with the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. It is supplied for pharmaceutical intermediate manufacturing, custom synthesis programmes and analytical research, with documentation and quality data available on request.
What is the CAS number of Caffeine?
The CAS number of Caffeine is 58-08-2.
What is the molecular formula of Caffeine?
The molecular formula of Caffeine is C8H10N4O2.
What is the molecular weight of Caffeine?
The molecular weight of Caffeine is 194.19 g/mol.
What is Caffeine used for?
Used as an intermediate or reagent in the preparation of active pharmaceutical ingredients and drug intermediates where Caffeine is required at controlled purity. Applied in medicinal chemistry, route scouting and analytical reference work at gram to kilogram scale. Employed in fine chemical and specialty manufacturing processes that consume Caffeine as a raw material.
Can I request Caffeine from your company?
Yes. Send your required quantity, purity and packaging through our request-a-quote form and our team will respond with availability and lead time for Caffeine.
Request a quote for Caffeine
Tell us your required quantity, purity, specification or synthesis requirements and our scientific team will respond with a tailored proposal.
Request a Quote