ChemDiv1_001795
TL;DR: ChemDiv1_001795 (CAS 313405-38-8) is a chemical compound with molecular formula C24H21BrClN3O4 and molecular weight 529.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-bromophenyl)-3-(2-chloro-7-ethoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_001795, US9533969, TDRL-505, EC-000.2266, 4-[3-(4-bromophenyl)-5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-[5-(4-bromophenyl)-3-(2-chloro-7-ethoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C24H21BrClN3O4 |
|---|---|
| Molecular Weight | 529.04 g/mol |
| LogP | 5.5919 |
| Topological Polar Surface Area | 92.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.0404 |
| Heavy Atoms | 33 |
| Complexity | 1246.438 |
Chemical Identifiers
| CAS Number | 313405-38-8 |
|---|---|
| SMILES | CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=C(C=C4)Br)Cl |
Product Overview
ChemDiv1_001795 (CAS 313405-38-8), with molecular formula C24H21BrClN3O4 and molecular weight 529.04 g/mol. IUPAC: 4-[5-(4-bromophenyl)-3-(2-chloro-7-ethoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_001795
Property Insights of ChemDiv1_001795
The XLogP value of 5.5919 indicates that ChemDiv1_001795 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001795. Following Lipinski's Rule of Five, ChemDiv1_001795 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001795?
The CAS number of ChemDiv1_001795 is 313405-38-8.
What is the molecular formula of ChemDiv1_001795?
The molecular formula of ChemDiv1_001795 is C24H21BrClN3O4.
What is the molecular weight of ChemDiv1_001795?
The molecular weight of ChemDiv1_001795 is 529.04 g/mol.
Where can I buy ChemDiv1_001795?
You can request a quote for ChemDiv1_001795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001795?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.