Acetaminophen; Butalbital; Caffeine
TL;DR: Acetaminophen; Butalbital; Caffeine (CAS 122018-95-5) is a chemical compound with molecular formula C27H35N7O7 and molecular weight 569.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxyphenyl)acetamide;5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione;1,3,7-trimethylpurine-2,6-dione
Also Known As: Fioricet, Medigesic, Anoquan, Capacet, Zebutal
| Molecular Formula | C27H35N7O7 |
|---|---|
| Molecular Weight | 569.26 g/mol |
| LogP | 1.2823 |
| Topological Polar Surface Area | 186.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 569.2598 |
| Heavy Atoms | 41 |
| Complexity | 1560.2053 |
Chemical Identifiers
| CAS Number | 122018-95-5 |
|---|---|
| SMILES | CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C.CC(=O)NC1=CC=C(C=C1)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
Product Overview
Acetaminophen; Butalbital; Caffeine (CAS 122018-95-5), with molecular formula C27H35N7O7 and molecular weight 569.26 g/mol. IUPAC: N-(4-hydroxyphenyl)acetamide;5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Acetaminophen; Butalbital; Caffeine
Property Insights of Acetaminophen; Butalbital; Caffeine
The XLogP value of 1.2823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetaminophen; Butalbital; Caffeine. The TPSA of 186.42 Ų indicates high polarity, suggesting Acetaminophen; Butalbital; Caffeine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetaminophen; Butalbital; Caffeine has 4 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; Butalbital; Caffeine?
The CAS number of Acetaminophen; Butalbital; Caffeine is 122018-95-5.
What is the molecular formula of Acetaminophen; Butalbital; Caffeine?
The molecular formula of Acetaminophen; Butalbital; Caffeine is C27H35N7O7.
What is the molecular weight of Acetaminophen; Butalbital; Caffeine?
The molecular weight of Acetaminophen; Butalbital; Caffeine is 569.26 g/mol.
Where can I buy Acetaminophen; Butalbital; Caffeine?
You can request a quote for Acetaminophen; Butalbital; Caffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetaminophen; Butalbital; Caffeine?
Yes, KEHONG BIO provides custom synthesis services for Acetaminophen; Butalbital; Caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.