ChemDiv1_004928
TL;DR: ChemDiv1_004928 (CAS 361479-89-2) is a chemical compound with molecular formula C31H28ClN3O6 and molecular weight 573.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Also Known As: ChemDiv1_004928, 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid, F0770-0064, 5-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid, 5-[(3E)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(3,4-dimethoxyphenyl)pyrazolidin-1-yl]-5-oxopentanoic acid
| Molecular Formula | C31H28ClN3O6 |
|---|---|
| Molecular Weight | 573.17 g/mol |
| LogP | 5.7983 |
| Topological Polar Surface Area | 121.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 573.1667 |
| Heavy Atoms | 41 |
| Complexity | 1716.7689 |
Chemical Identifiers
| CAS Number | 361479-89-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)O)C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5)OC |
Product Overview
ChemDiv1_004928 (CAS 361479-89-2), with molecular formula C31H28ClN3O6 and molecular weight 573.17 g/mol. IUPAC: 5-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.
Chemical Property Profile of ChemDiv1_004928
Property Insights of ChemDiv1_004928
The XLogP value of 5.7983 indicates that ChemDiv1_004928 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004928. Following Lipinski's Rule of Five, ChemDiv1_004928 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004928?
The CAS number of ChemDiv1_004928 is 361479-89-2.
What is the molecular formula of ChemDiv1_004928?
The molecular formula of ChemDiv1_004928 is C31H28ClN3O6.
What is the molecular weight of ChemDiv1_004928?
The molecular weight of ChemDiv1_004928 is 573.17 g/mol.
Where can I buy ChemDiv1_004928?
You can request a quote for ChemDiv1_004928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004928?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.