BAS 00619934
TL;DR: BAS 00619934 (CAS 331841-12-4) is a chemical compound with molecular formula C21H21ClN2OS2 and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-methylphenyl)-8-ethoxy-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
Also Known As: BAS 00619934, 2-(3-chloro-4-methylphenyl)-8-ethoxy-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione, 2-(3-chloro-4-methylphenyl)-8-ethoxy-4,4-dimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione, 2-(3-chloro-4-methylphenyl)-8-ethoxy-4,4-dimethyl-4,5-dihydro[1,2]thiazolo[5,4-c]quinoline-1(2H)-thione
| Molecular Formula | C21H21ClN2OS2 |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 6.95641 |
| Topological Polar Surface Area | 26.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.07837 |
| Heavy Atoms | 27 |
| Complexity | 1098.0464 |
Chemical Identifiers
| CAS Number | 331841-12-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(C3=C2C(=S)N(S3)C4=CC(=C(C=C4)C)Cl)(C)C |
Product Overview
BAS 00619934 (CAS 331841-12-4), with molecular formula C21H21ClN2OS2 and molecular weight 416.08 g/mol. IUPAC: 2-(3-chloro-4-methylphenyl)-8-ethoxy-4,4-dimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.
Chemical Property Profile of BAS 00619934
Property Insights of BAS 00619934
The XLogP value of 6.95641 indicates that BAS 00619934 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.19 Ų, BAS 00619934 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00619934 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00619934?
The CAS number of BAS 00619934 is 331841-12-4.
What is the molecular formula of BAS 00619934?
The molecular formula of BAS 00619934 is C21H21ClN2OS2.
What is the molecular weight of BAS 00619934?
The molecular weight of BAS 00619934 is 416.08 g/mol.
Where can I buy BAS 00619934?
You can request a quote for BAS 00619934 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619934?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619934 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.