BAS 00655752
TL;DR: BAS 00655752 (CAS 331944-53-7) is a chemical compound with molecular formula C21H21ClN2S2 and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-methylphenyl)-4,4,7,8-tetramethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
Also Known As: BAS 00655752, 2-(3-chloro-4-methylphenyl)-4,4,7,8-tetramethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione, 2-(3-chloro-4-methylphenyl)-4,4,7,8-tetramethyl-4,5-dihydro[1,2]thiazolo[5,4-c]quinoline-1(2H)-thione, 2-(3-chloro-4-methylphenyl)-4,4,7,8-tetramethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione
| Molecular Formula | C21H21ClN2S2 |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 7.17455 |
| Topological Polar Surface Area | 16.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 400.08347 |
| Heavy Atoms | 26 |
| Complexity | 1105.9293 |
Chemical Identifiers
| CAS Number | 331944-53-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=S)C3=C(S2)C(NC4=C3C=C(C(=C4)C)C)(C)C)Cl |
Product Overview
BAS 00655752 (CAS 331944-53-7), with molecular formula C21H21ClN2S2 and molecular weight 400.08 g/mol. IUPAC: 2-(3-chloro-4-methylphenyl)-4,4,7,8-tetramethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.
Chemical Property Profile of BAS 00655752
Property Insights of BAS 00655752
The XLogP value of 7.17455 indicates that BAS 00655752 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 00655752 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00655752 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 00655752?
The CAS number of BAS 00655752 is 331944-53-7.
What is the molecular formula of BAS 00655752?
The molecular formula of BAS 00655752 is C21H21ClN2S2.
What is the molecular weight of BAS 00655752?
The molecular weight of BAS 00655752 is 400.08 g/mol.
Where can I buy BAS 00655752?
You can request a quote for BAS 00655752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655752?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.