ChemDiv1_005151
TL;DR: ChemDiv1_005151 (CAS 361479-95-0) is a chemical compound with molecular formula C22H20ClN3O and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(2-chloro-8-methylquinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: ChemDiv1_005151, 1-{5-[(2-chloro-8-methylquinolin-3-yl)methyl]-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}ethan-1-one, 1-[3-[(2-chloro-8-methylquinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone, 1-(5-((2-chloro-8-methylquinolin-3-yl)methyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
| Molecular Formula | C22H20ClN3O |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 4.76422 |
| Topological Polar Surface Area | 45.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.1295 |
| Heavy Atoms | 27 |
| Complexity | 1046.1122 |
Chemical Identifiers
| CAS Number | 361479-95-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C=C(C(=N2)Cl)CC3CC(=NN3C(=O)C)C4=CC=CC=C4 |
Product Overview
ChemDiv1_005151 (CAS 361479-95-0), with molecular formula C22H20ClN3O and molecular weight 377.13 g/mol. IUPAC: 1-[3-[(2-chloro-8-methylquinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of ChemDiv1_005151
Property Insights of ChemDiv1_005151
The XLogP value of 4.76422 indicates that ChemDiv1_005151 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.56 Ų, ChemDiv1_005151 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_005151 has 0 hydrogen bond donor(s) and 3 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_005151?
The CAS number of ChemDiv1_005151 is 361479-95-0.
What is the molecular formula of ChemDiv1_005151?
The molecular formula of ChemDiv1_005151 is C22H20ClN3O.
What is the molecular weight of ChemDiv1_005151?
The molecular weight of ChemDiv1_005151 is 377.13 g/mol.
Where can I buy ChemDiv1_005151?
You can request a quote for ChemDiv1_005151 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005151?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005151 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.