BAS 00584687
TL;DR: BAS 00584687 (CAS 331761-25-2) is a chemical compound with molecular formula C19H17ClN2S2 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-4,4-dimethyl-2-(4-methylphenyl)-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
Also Known As: BAS 00584687, 8-chloro-4,4-dimethyl-2-(4-methylphenyl)-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione, 8-chloro-4,4-dimethyl-2-(4-methylphenyl)-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione, 8-chloro-4,4-dimethyl-2-(p-tolyl)-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione, 8-chloro-4,4-dimethyl-2-(4-methylphenyl)-4,5-dihydro[1,2]thiazolo[5,4-c]quinoline-1(2H)-thione
| Molecular Formula | C19H17ClN2S2 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 6.55771 |
| Topological Polar Surface Area | 16.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.05215 |
| Heavy Atoms | 24 |
| Complexity | 997.19653 |
Chemical Identifiers
| CAS Number | 331761-25-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=S)C3=C(S2)C(NC4=C3C=C(C=C4)Cl)(C)C |
Product Overview
BAS 00584687 (CAS 331761-25-2), with molecular formula C19H17ClN2S2 and molecular weight 372.05 g/mol. IUPAC: 8-chloro-4,4-dimethyl-2-(4-methylphenyl)-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.
Chemical Property Profile of BAS 00584687
Property Insights of BAS 00584687
The XLogP value of 6.55771 indicates that BAS 00584687 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.96 Ų, BAS 00584687 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00584687 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00584687?
The CAS number of BAS 00584687 is 331761-25-2.
What is the molecular formula of BAS 00584687?
The molecular formula of BAS 00584687 is C19H17ClN2S2.
What is the molecular weight of BAS 00584687?
The molecular weight of BAS 00584687 is 372.05 g/mol.
Where can I buy BAS 00584687?
You can request a quote for BAS 00584687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00584687?
Yes, KEHONG BIO provides custom synthesis services for BAS 00584687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.