ChemDiv3_004019
TL;DR: ChemDiv3_004019 (CAS 442649-75-4) is a chemical compound with molecular formula C22H20ClN3O2 and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-chloro-6-methoxyquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
Also Known As: ChemDiv3_004019, IDI1_021929, 1-[5-(2-chloro-6-methoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one, 1-(5-(2-chloro-6-methoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one, BRD-A50443033-001-01-7
| Molecular Formula | C22H20ClN3O2 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 4.9845 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.1244 |
| Heavy Atoms | 28 |
| Complexity | 1066.0698 |
Chemical Identifiers
| CAS Number | 442649-75-4 |
|---|---|
| SMILES | CCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)OC)Cl |
Product Overview
ChemDiv3_004019 (CAS 442649-75-4), with molecular formula C22H20ClN3O2 and molecular weight 393.12 g/mol. IUPAC: 1-[3-(2-chloro-6-methoxyquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one.
Chemical Property Profile of ChemDiv3_004019
Property Insights of ChemDiv3_004019
The XLogP value of 4.9845 indicates that ChemDiv3_004019 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, ChemDiv3_004019 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004019 has 0 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 ChemDiv3_004019?
The CAS number of ChemDiv3_004019 is 442649-75-4.
What is the molecular formula of ChemDiv3_004019?
The molecular formula of ChemDiv3_004019 is C22H20ClN3O2.
What is the molecular weight of ChemDiv3_004019?
The molecular weight of ChemDiv3_004019 is 393.12 g/mol.
Where can I buy ChemDiv3_004019?
You can request a quote for ChemDiv3_004019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004019?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.