(1-Me-14C)caffeine
TL;DR: (1-Me-14C)caffeine (CAS 77196-81-7) is a chemical compound with molecular formula C8H10N4O2 and molecular weight 196.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-1-(114C)methylpurine-2,6-dione
Also Known As: 1-Methylcaffeine, (14-C)Caffeine, (1-Me-14C)caffeine, Caffeine-1-methyl-14C, 1,3,7-Trimethylpurine-2,6-dione
| Molecular Formula | C8H10N4O2 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.08362 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 77196-81-7 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)[14CH3] |
| InChIKey | RYYVLZVUVIJVGH-YZRHJBSPSA-N |
Product Overview
(1-Me-14C)caffeine (CAS 77196-81-7), with molecular formula C8H10N4O2 and molecular weight 196.08 g/mol. IUPAC: 3,7-dimethyl-1-(114C)methylpurine-2,6-dione.
Chemical Property Profile of (1-Me-14C)caffeine
Property Insights of (1-Me-14C)caffeine
The XLogP value of -0.1 indicates that (1-Me-14C)caffeine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, (1-Me-14C)caffeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Me-14C)caffeine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-Me-14C)caffeine?
The CAS number of (1-Me-14C)caffeine is 77196-81-7.
What is the molecular formula of (1-Me-14C)caffeine?
The molecular formula of (1-Me-14C)caffeine is C8H10N4O2.
What is the molecular weight of (1-Me-14C)caffeine?
The molecular weight of (1-Me-14C)caffeine is 196.08 g/mol.
Where can I buy (1-Me-14C)caffeine?
You can request a quote for (1-Me-14C)caffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Me-14C)caffeine?
Yes, KEHONG BIO provides custom synthesis services for (1-Me-14C)caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.