ChemDiv1_003123
TL;DR: ChemDiv1_003123 (CAS 312586-95-1) is a chemical compound with molecular formula C27H22ClN3O3 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-acetyl-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one
Also Known As: ChemDiv1_003123, 3-(1-acetyl-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-6-chloro-4-phenylquinolin-2(1H)-one, F0449-0014, 3-[1-acetyl-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-chloro-4-phenyl-1,2-dihydroquinolin-2-one, 3-[1-acetyl-5-(2-methoxyphenyl)pyrazolidin-3-ylidene]-6-chloro-4-phenylquinolin-2-one
| Molecular Formula | C27H22ClN3O3 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 5.5547 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.13498 |
| Heavy Atoms | 34 |
| Complexity | 1494.525 |
Chemical Identifiers
| CAS Number | 312586-95-1 |
|---|---|
| SMILES | CC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C5=CC=CC=C5OC |
Product Overview
ChemDiv1_003123 (CAS 312586-95-1), with molecular formula C27H22ClN3O3 and molecular weight 471.13 g/mol. IUPAC: 3-[2-acetyl-3-(2-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one.
Chemical Property Profile of ChemDiv1_003123
Property Insights of ChemDiv1_003123
The XLogP value of 5.5547 indicates that ChemDiv1_003123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003123. Following Lipinski's Rule of Five, ChemDiv1_003123 has 1 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_003123?
The CAS number of ChemDiv1_003123 is 312586-95-1.
What is the molecular formula of ChemDiv1_003123?
The molecular formula of ChemDiv1_003123 is C27H22ClN3O3.
What is the molecular weight of ChemDiv1_003123?
The molecular weight of ChemDiv1_003123 is 471.13 g/mol.
Where can I buy ChemDiv1_003123?
You can request a quote for ChemDiv1_003123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003123?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.