Anacin
TL;DR: Anacin (CAS 53908-20-6) is a chemical compound with molecular formula C17H18N4O6 and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Anacin
2-acetyloxybenzoic acid;1,3,7-trimethylpurine-2,6-dione
Also Known As: Anacin, Aspirin Mixture With Caffeine, Caffeine mixture with aspirin, 2-acetyloxybenzoic acid,1,3,7-trimethylpurine-2,6-dione, 2-acetyloxybenzoic acid; 1,3,7-trimethylpurine-2,6-dione
| Molecular Formula | C17H18N4O6 |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 0.2808 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.12262 |
| Heavy Atoms | 27 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 53908-20-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | AEDBPCUEFFFHBP-UHFFFAOYSA-N |
Product Overview
Anacin (CAS 53908-20-6), with molecular formula C17H18N4O6 and molecular weight 374.12 g/mol. IUPAC: 2-acetyloxybenzoic acid;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Anacin
Property Insights of Anacin
The XLogP value of 0.2808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anacin. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anacin. Following Lipinski's Rule of Five, Anacin has 1 hydrogen bond donor(s) and 7 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 Anacin?
The CAS number of Anacin is 53908-20-6.
What is the molecular formula of Anacin?
The molecular formula of Anacin is C17H18N4O6.
What is the molecular weight of Anacin?
The molecular weight of Anacin is 374.12 g/mol.
Where can I buy Anacin?
You can request a quote for Anacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anacin?
Yes, KEHONG BIO provides custom synthesis services for Anacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.