BAS 00619888
TL;DR: BAS 00619888 (CAS 331840-93-8) is a chemical compound with molecular formula C26H22F3NO3S3 and molecular weight 549.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-phenyl-2-[2,2,6-trimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4-carboxylate
Also Known As: BAS 00619888, (Z)-ethyl 5-phenyl-2-(2,2,6-trimethyl-3-thioxo-1-(2,2,2-trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate, ethyl (2Z)-5-phenyl-2-[2,2,6-trimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4-carboxylate, ethyl (2Z)-5-phenyl-2-[2,2,6-trimethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4-carboxylate, ethyl 5-phenyl-2-(2,2,6-trimethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4-carboxylate
| Molecular Formula | C26H22F3NO3S3 |
|---|---|
| Molecular Weight | 549.07 g/mol |
| LogP | 7.13292 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 549.0714 |
| Heavy Atoms | 36 |
| Complexity | 1330.9349 |
Chemical Identifiers
| CAS Number | 331840-93-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C(F)(F)F)/S1)C4=CC=CC=C4 |
Product Overview
BAS 00619888 (CAS 331840-93-8), with molecular formula C26H22F3NO3S3 and molecular weight 549.07 g/mol. IUPAC: ethyl (2Z)-5-phenyl-2-[2,2,6-trimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00619888
Property Insights of BAS 00619888
The XLogP value of 7.13292 indicates that BAS 00619888 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, BAS 00619888 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00619888 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00619888?
The CAS number of BAS 00619888 is 331840-93-8.
What is the molecular formula of BAS 00619888?
The molecular formula of BAS 00619888 is C26H22F3NO3S3.
What is the molecular weight of BAS 00619888?
The molecular weight of BAS 00619888 is 549.07 g/mol.
Where can I buy BAS 00619888?
You can request a quote for BAS 00619888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619888?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.