ChemDiv1_008594
TL;DR: ChemDiv1_008594 (CAS 333750-07-5) is a chemical compound with molecular formula C24H22ClN3O5 and molecular weight 467.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-chloroquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_008594, EINECS 251-486-8, 4-[5-(2-chloroquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-(5-(2-chloroquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, F0877-0109
| Molecular Formula | C24H22ClN3O5 |
|---|---|
| Molecular Weight | 467.12 g/mol |
| LogP | 4.4479 |
| Topological Polar Surface Area | 101.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.1248 |
| Heavy Atoms | 33 |
| Complexity | 1260.0784 |
Chemical Identifiers
| CAS Number | 333750-07-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC4=CC=CC=C4N=C3Cl)C(=O)CCC(=O)O)OC |
Product Overview
ChemDiv1_008594 (CAS 333750-07-5), with molecular formula C24H22ClN3O5 and molecular weight 467.12 g/mol. IUPAC: 4-[3-(2-chloroquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_008594
Property Insights of ChemDiv1_008594
The XLogP value of 4.4479 indicates that ChemDiv1_008594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008594. Following Lipinski's Rule of Five, ChemDiv1_008594 has 1 hydrogen bond donor(s) and 6 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_008594?
The CAS number of ChemDiv1_008594 is 333750-07-5.
What is the molecular formula of ChemDiv1_008594?
The molecular formula of ChemDiv1_008594 is C24H22ClN3O5.
What is the molecular weight of ChemDiv1_008594?
The molecular weight of ChemDiv1_008594 is 467.12 g/mol.
Where can I buy ChemDiv1_008594?
You can request a quote for ChemDiv1_008594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008594?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.