AB00672221-01
TL;DR: AB00672221-01 (CAS 887897-63-4) is a chemical compound with molecular formula C18H14ClN3O3 and molecular weight 355.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
Also Known As: AB00672221-01, N-(3-chloro-2-methylphenyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F0696-0446, N-(3-chloro-2-methylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
| Molecular Formula | C18H14ClN3O3 |
|---|---|
| Molecular Weight | 355.07 g/mol |
| LogP | 2.73992 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.07236 |
| Heavy Atoms | 25 |
| Complexity | 1055.1517 |
Chemical Identifiers
| CAS Number | 887897-63-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)C2=CNC(=O)N(C2=O)C3=CC=CC=C3 |
Product Overview
AB00672221-01 (CAS 887897-63-4), with molecular formula C18H14ClN3O3 and molecular weight 355.07 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AB00672221-01
Property Insights of AB00672221-01
The XLogP value of 2.73992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672221-01. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672221-01. Following Lipinski's Rule of Five, AB00672221-01 has 2 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 AB00672221-01?
The CAS number of AB00672221-01 is 887897-63-4.
What is the molecular formula of AB00672221-01?
The molecular formula of AB00672221-01 is C18H14ClN3O3.
What is the molecular weight of AB00672221-01?
The molecular weight of AB00672221-01 is 355.07 g/mol.
Where can I buy AB00672221-01?
You can request a quote for AB00672221-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672221-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672221-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.