ChemDiv1_000712
TL;DR: ChemDiv1_000712 (CAS 313267-05-9) is a chemical compound with molecular formula C26H19BrFN3O2 and molecular weight 503.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]-6-bromo-4-phenyl-1H-quinolin-2-one
Also Known As: ChemDiv1_000712, BAS 00929943, 3-(1-acetyl-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-6-bromo-4-phenylquinolin-2(1H)-one, BRD-A13477288-001-01-3, F0195-0013
| Molecular Formula | C26H19BrFN3O2 |
|---|---|
| Molecular Weight | 503.06 g/mol |
| LogP | 5.7943 |
| Topological Polar Surface Area | 65.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 503.06448 |
| Heavy Atoms | 33 |
| Complexity | 1463.15 |
Chemical Identifiers
| CAS Number | 313267-05-9 |
|---|---|
| SMILES | CC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4)C5=CC=C(C=C5)F |
Product Overview
ChemDiv1_000712 (CAS 313267-05-9), with molecular formula C26H19BrFN3O2 and molecular weight 503.06 g/mol. IUPAC: 3-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]-6-bromo-4-phenyl-1H-quinolin-2-one.
Chemical Property Profile of ChemDiv1_000712
Property Insights of ChemDiv1_000712
The XLogP value of 5.7943 indicates that ChemDiv1_000712 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000712. Following Lipinski's Rule of Five, ChemDiv1_000712 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_000712?
The CAS number of ChemDiv1_000712 is 313267-05-9.
What is the molecular formula of ChemDiv1_000712?
The molecular formula of ChemDiv1_000712 is C26H19BrFN3O2.
What is the molecular weight of ChemDiv1_000712?
The molecular weight of ChemDiv1_000712 is 503.06 g/mol.
Where can I buy ChemDiv1_000712?
You can request a quote for ChemDiv1_000712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000712?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.