BAS 00861903
TL;DR: BAS 00861903 (CAS 332044-07-2) is a chemical compound with molecular formula C20H17F3N2S2 and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,6-trimethyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
Also Known As: BAS 00861903, 4,4,6-trimethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione, 4,4,6-trimethyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione, 4,4,6-trimethyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro[1,2]thiazolo[5,4-c]quinoline-1(2H)-thione, 4,4,6-trimethyl-2-(4-(trifluoromethyl)phenyl)-4,5-dihydroisothiazolo[5,4-c]quinoline-1(2H)-thione
| Molecular Formula | C20H17F3N2S2 |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 6.92311 |
| Topological Polar Surface Area | 16.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 406.07852 |
| Heavy Atoms | 27 |
| Complexity | 1089.8951 |
Chemical Identifiers
| CAS Number | 332044-07-2 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C3=C(C(N2)(C)C)SN(C3=S)C4=CC=C(C=C4)C(F)(F)F |
Product Overview
BAS 00861903 (CAS 332044-07-2), with molecular formula C20H17F3N2S2 and molecular weight 406.08 g/mol. IUPAC: 4,4,6-trimethyl-2-[4-(trifluoromethyl)phenyl]-5H-[1,2]thiazolo[5,4-c]quinoline-1-thione.
Chemical Property Profile of BAS 00861903
Property Insights of BAS 00861903
The XLogP value of 6.92311 indicates that BAS 00861903 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 00861903 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00861903 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 00861903?
The CAS number of BAS 00861903 is 332044-07-2.
What is the molecular formula of BAS 00861903?
The molecular formula of BAS 00861903 is C20H17F3N2S2.
What is the molecular weight of BAS 00861903?
The molecular weight of BAS 00861903 is 406.08 g/mol.
Where can I buy BAS 00861903?
You can request a quote for BAS 00861903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00861903?
Yes, KEHONG BIO provides custom synthesis services for BAS 00861903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.