ChemDiv1_005319
TL;DR: ChemDiv1_005319 (CAS 325747-01-1) is a chemical compound with molecular formula C21H14ClNOS4 and molecular weight 458.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-1-benzothiophen-2-yl)-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: ChemDiv1_005319, (3-chloro-1-benzothiophen-2-yl)(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, (3-chloro-1-benzothiophen-2-yl)-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, (3-chlorobenzo[b]thiophen-2-yl)(4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone, 4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl) 3-chloro benzo[b]thiophen-2-yl ketone
| Molecular Formula | C21H14ClNOS4 |
|---|---|
| Molecular Weight | 458.96 g/mol |
| LogP | 7.96969 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.9647 |
| Heavy Atoms | 28 |
| Complexity | 1313.4419 |
Chemical Identifiers
| CAS Number | 325747-01-1 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=C(C5=CC=CC=C5S4)Cl)C(=S)SS2)C |
Product Overview
ChemDiv1_005319 (CAS 325747-01-1), with molecular formula C21H14ClNOS4 and molecular weight 458.96 g/mol. IUPAC: (3-chloro-1-benzothiophen-2-yl)-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of ChemDiv1_005319
Property Insights of ChemDiv1_005319
The XLogP value of 7.96969 indicates that ChemDiv1_005319 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_005319 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_005319 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_005319?
The CAS number of ChemDiv1_005319 is 325747-01-1.
What is the molecular formula of ChemDiv1_005319?
The molecular formula of ChemDiv1_005319 is C21H14ClNOS4.
What is the molecular weight of ChemDiv1_005319?
The molecular weight of ChemDiv1_005319 is 458.96 g/mol.
Where can I buy ChemDiv1_005319?
You can request a quote for ChemDiv1_005319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005319?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.