ChemDiv1_023753
TL;DR: ChemDiv1_023753 (CAS 331760-89-5) is a chemical compound with molecular formula C20H16ClNOS3 and molecular weight 417.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl)-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: ChemDiv1_023753, BAS 00584568, (2-chlorophenyl)(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, (2-chlorophenyl)-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, 5-(2-chlorobenzoyl)-4,4,8-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C20H16ClNOS3 |
|---|---|
| Molecular Weight | 417.01 g/mol |
| LogP | 7.06341 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.00827 |
| Heavy Atoms | 26 |
| Complexity | 1096.4309 |
Chemical Identifiers
| CAS Number | 331760-89-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=CC=C4Cl |
Product Overview
ChemDiv1_023753 (CAS 331760-89-5), with molecular formula C20H16ClNOS3 and molecular weight 417.01 g/mol. IUPAC: (2-chlorophenyl)-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of ChemDiv1_023753
Property Insights of ChemDiv1_023753
The XLogP value of 7.06341 indicates that ChemDiv1_023753 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_023753 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023753 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_023753?
The CAS number of ChemDiv1_023753 is 331760-89-5.
What is the molecular formula of ChemDiv1_023753?
The molecular formula of ChemDiv1_023753 is C20H16ClNOS3.
What is the molecular weight of ChemDiv1_023753?
The molecular weight of ChemDiv1_023753 is 417.01 g/mol.
Where can I buy ChemDiv1_023753?
You can request a quote for ChemDiv1_023753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023753?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.