3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol
TL;DR: 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol (CAS 61640-15-1) is a chemical compound with molecular formula C14H13BrClNS and molecular weight 340.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[(E)-3-chlorobut-2-enyl]-2-methyl-1H-quinoline-4-thione
Also Known As: BAS 00733394, 6-Bromo-3-(3-chloro-but-2-enyl)-2-methyl-quinoline-4-thiol, (E)-6-bromo-3-(3-chlorobut-2-en-1-yl)-2-methylquinoline-4-thiol, 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol, 6-bromo-3-[(E)-3-chlorobut-2-enyl]-2-methyl-1H-quinoline-4-thione
| Molecular Formula | C14H13BrClNS |
|---|---|
| Molecular Weight | 340.96 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.96405 |
| Heavy Atoms | 18 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 61640-15-1 |
|---|---|
| SMILES | CC1=C(C(=S)C2=C(N1)C=CC(=C2)Br)C/C=C(\C)/Cl |
| InChIKey | KGTRTIZLVRXGHW-FPYGCLRLSA-N |
Product Overview
3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol (CAS 61640-15-1), with molecular formula C14H13BrClNS and molecular weight 340.96 g/mol. IUPAC: 6-bromo-3-[(E)-3-chlorobut-2-enyl]-2-methyl-1H-quinoline-4-thione.
Chemical Property Profile of 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol
Property Insights of 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol
The XLogP value of 5.0 indicates that 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol has 1 hydrogen bond donor(s) and 2 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 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol?
The CAS number of 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol is 61640-15-1.
What is the molecular formula of 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol?
The molecular formula of 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol is C14H13BrClNS.
What is the molecular weight of 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol?
The molecular weight of 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol is 340.96 g/mol.
Where can I buy 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol?
You can request a quote for 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-((2E)-3-chlorobut-2-enyl)-6-bromo-2-methylquinoline-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.