J1.689.940B
TL;DR: J1.689.940B (CAS 228725-44-8) is a chemical compound with molecular formula C17H12ClFN2O2 and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
Also Known As: J1.689.940B, 3-Quinolinecarboxamide, N-((4-chlorophenyl)methyl)-8-fluoro-4-hydroxy-, N-((4-Chlorophenyl)methyl)-8-fluoro-4-hydroxy-3-quinolinecarboxamide, N-(4-Chlorobenzyl)-4-hydroxy-8-fluoroquinoline-3-carboxamide, N-[(4-Chlorophenyl)methyl](8-fluoro-4-hydroxy(3-quinolyl))carboxamide
| Molecular Formula | C17H12ClFN2O2 |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.05713 |
| Heavy Atoms | 23 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 228725-44-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)F)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl |
| InChIKey | ZUZVLSCMJSYXFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
J1.689.940B (CAS 228725-44-8), with molecular formula C17H12ClFN2O2 and molecular weight 330.06 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide.
Chemical Property Profile of J1.689.940B
Property Insights of J1.689.940B
The XLogP value of 3.8 indicates that J1.689.940B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, J1.689.940B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J1.689.940B 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 J1.689.940B?
The CAS number of J1.689.940B is 228725-44-8.
What is the molecular formula of J1.689.940B?
The molecular formula of J1.689.940B is C17H12ClFN2O2.
What is the molecular weight of J1.689.940B?
The molecular weight of J1.689.940B is 330.06 g/mol.
Where can I buy J1.689.940B?
You can request a quote for J1.689.940B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.689.940B?
Yes, KEHONG BIO provides custom synthesis services for J1.689.940B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.