Apobuscopan
TL;DR: Apobuscopan (CAS 92714-23-3) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Apobuscopan, BAS 00087253, Butyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, butyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 4-(4-Methoxy-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid butyl ester
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 2.6664 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 607.5243 |
Chemical Identifiers
| CAS Number | 92714-23-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C |
Product Overview
Apobuscopan (CAS 92714-23-3), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: butyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Apobuscopan
Property Insights of Apobuscopan
The XLogP value of 2.6664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apobuscopan. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Apobuscopan. Following Lipinski's Rule of Five, Apobuscopan has 2 hydrogen bond donor(s) and 4 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 Apobuscopan?
The CAS number of Apobuscopan is 92714-23-3.
What is the molecular formula of Apobuscopan?
The molecular formula of Apobuscopan is C17H22N2O4.
What is the molecular weight of Apobuscopan?
The molecular weight of Apobuscopan is 318.16 g/mol.
Where can I buy Apobuscopan?
You can request a quote for Apobuscopan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apobuscopan?
Yes, KEHONG BIO provides custom synthesis services for Apobuscopan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.