ChemDiv1_005195
TL;DR: ChemDiv1_005195 (CAS 361479-99-4) is a chemical compound with molecular formula C24H22ClN3O3 and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(2-chloro-8-methylquinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_005195, 4-{5-[(2-chloro-8-methylquinolin-3-yl)methyl]-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-4-oxobutanoic acid, 4-(5-((2-chloro-8-methylquinolin-3-yl)methyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[3-[(2-chloro-8-methylquinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C24H22ClN3O3 |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 4.60912 |
| Topological Polar Surface Area | 82.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.13498 |
| Heavy Atoms | 31 |
| Complexity | 1177.408 |
Chemical Identifiers
| CAS Number | 361479-99-4 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C=C(C(=N2)Cl)CC3CC(=NN3C(=O)CCC(=O)O)C4=CC=CC=C4 |
Product Overview
ChemDiv1_005195 (CAS 361479-99-4), with molecular formula C24H22ClN3O3 and molecular weight 435.13 g/mol. IUPAC: 4-[3-[(2-chloro-8-methylquinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_005195
Property Insights of ChemDiv1_005195
The XLogP value of 4.60912 indicates that ChemDiv1_005195 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005195. Following Lipinski's Rule of Five, ChemDiv1_005195 has 1 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 ChemDiv1_005195?
The CAS number of ChemDiv1_005195 is 361479-99-4.
What is the molecular formula of ChemDiv1_005195?
The molecular formula of ChemDiv1_005195 is C24H22ClN3O3.
What is the molecular weight of ChemDiv1_005195?
The molecular weight of ChemDiv1_005195 is 435.13 g/mol.
Where can I buy ChemDiv1_005195?
You can request a quote for ChemDiv1_005195 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005195?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005195 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.