ChemDiv3_004226
TL;DR: ChemDiv3_004226 (CAS 864925-20-2) is a chemical compound with molecular formula C24H20ClN3O4S and molecular weight 481.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(benzenesulfonyl)-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-2-chloro-7-ethoxyquinoline
Also Known As: ChemDiv3_004226, IDI1_022136, BRD-A34703981-001-01-7, 2-chloro-7-ethoxy-3-(3-(furan-2-yl)-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline, 3-[1-(benzenesulfonyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-7-ethoxyquinoline
| Molecular Formula | C24H20ClN3O4S |
|---|---|
| Molecular Weight | 481.09 g/mol |
| LogP | 5.4199 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.0863 |
| Heavy Atoms | 33 |
| Complexity | 1437.613 |
Chemical Identifiers
| CAS Number | 864925-20-2 |
|---|---|
| SMILES | CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C4=CC=CC=C4)C5=CC=CO5)Cl |
Product Overview
ChemDiv3_004226 (CAS 864925-20-2), with molecular formula C24H20ClN3O4S and molecular weight 481.09 g/mol. IUPAC: 3-[2-(benzenesulfonyl)-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]-2-chloro-7-ethoxyquinoline.
Chemical Property Profile of ChemDiv3_004226
Property Insights of ChemDiv3_004226
The XLogP value of 5.4199 indicates that ChemDiv3_004226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004226. Following Lipinski's Rule of Five, ChemDiv3_004226 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_004226?
The CAS number of ChemDiv3_004226 is 864925-20-2.
What is the molecular formula of ChemDiv3_004226?
The molecular formula of ChemDiv3_004226 is C24H20ClN3O4S.
What is the molecular weight of ChemDiv3_004226?
The molecular weight of ChemDiv3_004226 is 481.09 g/mol.
Where can I buy ChemDiv3_004226?
You can request a quote for ChemDiv3_004226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004226?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.