ChemDiv1_023937
TL;DR: ChemDiv1_023937 (CAS 351192-68-2) is a chemical compound with molecular formula C22H20ClNO2S3 and molecular weight 461.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_023937, BAS 01045262, 2-(4-chlorophenoxy)-1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(4-chlorophenoxy)-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 5-[(4-chlorophenoxy)acetyl]-4,4,7,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
| Molecular Formula | C22H20ClNO2S3 |
|---|---|
| Molecular Weight | 461.03 g/mol |
| LogP | 7.13703 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.0345 |
| Heavy Atoms | 29 |
| Complexity | 1161.7908 |
Chemical Identifiers
| CAS Number | 351192-68-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C(C3=C2C(=S)SS3)(C)C)C(=O)COC4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_023937 (CAS 351192-68-2), with molecular formula C22H20ClNO2S3 and molecular weight 461.03 g/mol. IUPAC: 2-(4-chlorophenoxy)-1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_023937
Property Insights of ChemDiv1_023937
The XLogP value of 7.13703 indicates that ChemDiv1_023937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, ChemDiv1_023937 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023937 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023937?
The CAS number of ChemDiv1_023937 is 351192-68-2.
What is the molecular formula of ChemDiv1_023937?
The molecular formula of ChemDiv1_023937 is C22H20ClNO2S3.
What is the molecular weight of ChemDiv1_023937?
The molecular weight of ChemDiv1_023937 is 461.03 g/mol.
Where can I buy ChemDiv1_023937?
You can request a quote for ChemDiv1_023937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023937?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.