ChemDiv1_023872
TL;DR: ChemDiv1_023872 (CAS 331870-38-3) is a chemical compound with molecular formula C21H18ClNOS3 and molecular weight 431.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: ChemDiv1_023872, BAS 00655622, 5-(2-chlorobenzoyl)-4,4,7,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (2-chlorophenyl)-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, 5-(2-CHLOROBENZOYL)-4,4,7,8-TETRAMETHYL-[1,2]DITHIOLO[3,4-C]QUINOLINE-1-THIONE
| Molecular Formula | C21H18ClNOS3 |
|---|---|
| Molecular Weight | 431.02 g/mol |
| LogP | 7.37183 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 431.0239 |
| Heavy Atoms | 27 |
| Complexity | 1142.5687 |
Chemical Identifiers
| CAS Number | 331870-38-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=CC=C4Cl |
Product Overview
ChemDiv1_023872 (CAS 331870-38-3), with molecular formula C21H18ClNOS3 and molecular weight 431.02 g/mol. IUPAC: (2-chlorophenyl)-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of ChemDiv1_023872
Property Insights of ChemDiv1_023872
The XLogP value of 7.37183 indicates that ChemDiv1_023872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, ChemDiv1_023872 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023872 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023872?
The CAS number of ChemDiv1_023872 is 331870-38-3.
What is the molecular formula of ChemDiv1_023872?
The molecular formula of ChemDiv1_023872 is C21H18ClNOS3.
What is the molecular weight of ChemDiv1_023872?
The molecular weight of ChemDiv1_023872 is 431.02 g/mol.
Where can I buy ChemDiv1_023872?
You can request a quote for ChemDiv1_023872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023872?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.