Acetaminophen; Aspirin; Caffeine
TL;DR: Acetaminophen; Aspirin; Caffeine (CAS 83535-74-4) is a chemical compound with molecular formula C25H27N5O8 and molecular weight 525.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxybenzoic acid;N-(4-hydroxyphenyl)acetamide;1,3,7-trimethylpurine-2,6-dione
Also Known As: Dikalm, Anfengapilin, Neuranidal, NeoCitramonum, Anadin Extra
| Molecular Formula | C25H27N5O8 |
|---|---|
| Molecular Weight | 525.19 g/mol |
| LogP | 1.6314 |
| Topological Polar Surface Area | 174.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 525.186 |
| Heavy Atoms | 38 |
| Complexity | 1582.3344 |
Chemical Identifiers
| CAS Number | 83535-74-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)O.CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
Product Overview
Acetaminophen; Aspirin; Caffeine (CAS 83535-74-4), with molecular formula C25H27N5O8 and molecular weight 525.19 g/mol. IUPAC: 2-acetyloxybenzoic acid;N-(4-hydroxyphenyl)acetamide;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Acetaminophen; Aspirin; Caffeine
Property Insights of Acetaminophen; Aspirin; Caffeine
The XLogP value of 1.6314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetaminophen; Aspirin; Caffeine. The TPSA of 174.75 Ų indicates high polarity, suggesting Acetaminophen; Aspirin; Caffeine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetaminophen; Aspirin; Caffeine has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetaminophen; Aspirin; Caffeine?
The CAS number of Acetaminophen; Aspirin; Caffeine is 83535-74-4.
What is the molecular formula of Acetaminophen; Aspirin; Caffeine?
The molecular formula of Acetaminophen; Aspirin; Caffeine is C25H27N5O8.
What is the molecular weight of Acetaminophen; Aspirin; Caffeine?
The molecular weight of Acetaminophen; Aspirin; Caffeine is 525.19 g/mol.
Where can I buy Acetaminophen; Aspirin; Caffeine?
You can request a quote for Acetaminophen; Aspirin; Caffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetaminophen; Aspirin; Caffeine?
Yes, KEHONG BIO provides custom synthesis services for Acetaminophen; Aspirin; Caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.