ChemDiv1_002840
TL;DR: ChemDiv1_002840 (CAS 312586-98-4) is a chemical compound with molecular formula C28H21BrFN3O4 and molecular weight 561.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_002840, 4-(3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, F0449-0023, 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-[5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C28H21BrFN3O4 |
|---|---|
| Molecular Weight | 561.07 g/mol |
| LogP | 5.6392 |
| Topological Polar Surface Area | 102.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 561.06995 |
| Heavy Atoms | 37 |
| Complexity | 1617.3195 |
Chemical Identifiers
| CAS Number | 312586-98-4 |
|---|---|
| SMILES | C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC=CC=C5F |
Product Overview
ChemDiv1_002840 (CAS 312586-98-4), with molecular formula C28H21BrFN3O4 and molecular weight 561.07 g/mol. IUPAC: 4-[5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_002840
Property Insights of ChemDiv1_002840
The XLogP value of 5.6392 indicates that ChemDiv1_002840 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002840. Following Lipinski's Rule of Five, ChemDiv1_002840 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002840?
The CAS number of ChemDiv1_002840 is 312586-98-4.
What is the molecular formula of ChemDiv1_002840?
The molecular formula of ChemDiv1_002840 is C28H21BrFN3O4.
What is the molecular weight of ChemDiv1_002840?
The molecular weight of ChemDiv1_002840 is 561.07 g/mol.
Where can I buy ChemDiv1_002840?
You can request a quote for ChemDiv1_002840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002840?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.