ChemDiv1_008550
TL;DR: ChemDiv1_008550 (CAS 402950-98-5) is a chemical compound with molecular formula C22H20ClN3O3 and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-chloroquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: ChemDiv1_008550, F0877-0105, 1-(5-(2-chloroquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 1-[5-(2-chloroquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 1-[3-(2-chloroquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
| Molecular Formula | C22H20ClN3O3 |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 4.603 |
| Topological Polar Surface Area | 64.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.11932 |
| Heavy Atoms | 29 |
| Complexity | 1129.4856 |
Chemical Identifiers
| CAS Number | 402950-98-5 |
|---|---|
| SMILES | CC(=O)N1C(CC(=N1)C2=CC(=C(C=C2)OC)OC)C3=CC4=CC=CC=C4N=C3Cl |
Product Overview
ChemDiv1_008550 (CAS 402950-98-5), with molecular formula C22H20ClN3O3 and molecular weight 409.12 g/mol. IUPAC: 1-[3-(2-chloroquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of ChemDiv1_008550
Property Insights of ChemDiv1_008550
The XLogP value of 4.603 indicates that ChemDiv1_008550 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008550. Following Lipinski's Rule of Five, ChemDiv1_008550 has 0 hydrogen bond donor(s) and 5 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_008550?
The CAS number of ChemDiv1_008550 is 402950-98-5.
What is the molecular formula of ChemDiv1_008550?
The molecular formula of ChemDiv1_008550 is C22H20ClN3O3.
What is the molecular weight of ChemDiv1_008550?
The molecular weight of ChemDiv1_008550 is 409.12 g/mol.
Where can I buy ChemDiv1_008550?
You can request a quote for ChemDiv1_008550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008550?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.