ChemDiv3_004314
TL;DR: ChemDiv3_004314 (CAS 712308-49-1) is a chemical compound with molecular formula C22H20ClN3O4S and molecular weight 457.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-8-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
Also Known As: ChemDiv3_004314, IDI1_022224, F1292-0028, BRD-A43799340-001-01-0, 5-{7-chloro-2H,3H-[1,4]dioxino[2,3-g]quinolin-8-yl}-1-(ethanesulfonyl)-3-phenyl-4,5-dihydro-1H-pyrazole
| Molecular Formula | C22H20ClN3O4S |
|---|---|
| Molecular Weight | 457.09 g/mol |
| LogP | 4.1602 |
| Topological Polar Surface Area | 81.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.0863 |
| Heavy Atoms | 31 |
| Complexity | 1295.1039 |
Chemical Identifiers
| CAS Number | 712308-49-1 |
|---|---|
| SMILES | CCS(=O)(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=C(N=C4C=C5C(=CC4=C3)OCCO5)Cl |
Product Overview
ChemDiv3_004314 (CAS 712308-49-1), with molecular formula C22H20ClN3O4S and molecular weight 457.09 g/mol. IUPAC: 7-chloro-8-(2-ethylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.
Chemical Property Profile of ChemDiv3_004314
Property Insights of ChemDiv3_004314
The XLogP value of 4.1602 indicates that ChemDiv3_004314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004314. Following Lipinski's Rule of Five, ChemDiv3_004314 has 0 hydrogen bond donor(s) and 6 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_004314?
The CAS number of ChemDiv3_004314 is 712308-49-1.
What is the molecular formula of ChemDiv3_004314?
The molecular formula of ChemDiv3_004314 is C22H20ClN3O4S.
What is the molecular weight of ChemDiv3_004314?
The molecular weight of ChemDiv3_004314 is 457.09 g/mol.
Where can I buy ChemDiv3_004314?
You can request a quote for ChemDiv3_004314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004314?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.