ChemDiv1_023709
TL;DR: ChemDiv1_023709 (CAS 331760-86-2) is a chemical compound with molecular formula C19H14ClNOS3 and molecular weight 402.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: ChemDiv1_023709, BAS 00584565, 5-(2-Chlorobenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (2-chlorophenyl)-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, (2-chlorophenyl)(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
| Molecular Formula | C19H14ClNOS3 |
|---|---|
| Molecular Weight | 402.99 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 402.9926 |
| Heavy Atoms | 25 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 331760-86-2 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC=CC=C4Cl)C(=S)SS2)C |
| InChIKey | APPRBSLWSQZQIH-UHFFFAOYSA-N |
Product Overview
ChemDiv1_023709 (CAS 331760-86-2), with molecular formula C19H14ClNOS3 and molecular weight 402.99 g/mol. IUPAC: (2-chlorophenyl)-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of ChemDiv1_023709
Property Insights of ChemDiv1_023709
The XLogP value of 4.6 indicates that ChemDiv1_023709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023709. Following Lipinski's Rule of Five, ChemDiv1_023709 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 ChemDiv1_023709?
The CAS number of ChemDiv1_023709 is 331760-86-2.
What is the molecular formula of ChemDiv1_023709?
The molecular formula of ChemDiv1_023709 is C19H14ClNOS3.
What is the molecular weight of ChemDiv1_023709?
The molecular weight of ChemDiv1_023709 is 402.99 g/mol.
Where can I buy ChemDiv1_023709?
You can request a quote for ChemDiv1_023709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023709?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.