AB00672252-01
TL;DR: AB00672252-01 (CAS 887901-32-8) is a chemical compound with molecular formula C17H10ClFN4O5 and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-fluorophenyl)-N-(3-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
Also Known As: AB00672252-01, 3-(3-chloro-4-fluorophenyl)-N-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, F0696-0564, 3-(3-chloro-4-fluorophenyl)-N-(3-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
| Molecular Formula | C17H10ClFN4O5 |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 2.4788 |
| Topological Polar Surface Area | 127.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.03238 |
| Heavy Atoms | 28 |
| Complexity | 1220.655 |
Chemical Identifiers
| CAS Number | 887901-32-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CNC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl |
Product Overview
AB00672252-01 (CAS 887901-32-8), with molecular formula C17H10ClFN4O5 and molecular weight 404.03 g/mol. IUPAC: 3-(3-chloro-4-fluorophenyl)-N-(3-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of AB00672252-01
Property Insights of AB00672252-01
The XLogP value of 2.4788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672252-01. The TPSA of 127.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672252-01. Following Lipinski's Rule of Five, AB00672252-01 has 2 hydrogen bond donor(s) and 5 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 AB00672252-01?
The CAS number of AB00672252-01 is 887901-32-8.
What is the molecular formula of AB00672252-01?
The molecular formula of AB00672252-01 is C17H10ClFN4O5.
What is the molecular weight of AB00672252-01?
The molecular weight of AB00672252-01 is 404.03 g/mol.
Where can I buy AB00672252-01?
You can request a quote for AB00672252-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672252-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672252-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.