BAS 00458940
TL;DR: BAS 00458940 (CAS 331676-64-3) is a chemical compound with molecular formula C21H22N2S2 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethylphenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
Also Known As: BAS 00458940, 2-(4-ethylphenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione, 2-(4-ethylphenyl)-4,4,6-trimethyl-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione, 2-(4-ethylphenyl)-4,4,6-trimethyl-2,4,5-trihydroisothiazolo[5,4-c]quinoline-1- thione, 2-(4-ethylphenyl)-4,4,6-trimethyl-4,5-dihydro[1,2]thiazolo[5,4-c]quinoline-1(2H)-thione
| Molecular Formula | C21H22N2S2 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 6.46671 |
| Topological Polar Surface Area | 16.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.12244 |
| Heavy Atoms | 25 |
| Complexity | 1007.3656 |
Chemical Identifiers
| CAS Number | 331676-64-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=S)C3=C(S2)C(NC4=C(C=CC=C34)C)(C)C |
Product Overview
BAS 00458940 (CAS 331676-64-3), with molecular formula C21H22N2S2 and molecular weight 366.12 g/mol. IUPAC: 2-(4-ethylphenyl)-4,4,6-trimethyl-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.
Chemical Property Profile of BAS 00458940
Property Insights of BAS 00458940
The XLogP value of 6.46671 indicates that BAS 00458940 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 00458940 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458940 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 00458940?
The CAS number of BAS 00458940 is 331676-64-3.
What is the molecular formula of BAS 00458940?
The molecular formula of BAS 00458940 is C21H22N2S2.
What is the molecular weight of BAS 00458940?
The molecular weight of BAS 00458940 is 366.12 g/mol.
Where can I buy BAS 00458940?
You can request a quote for BAS 00458940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458940?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.