BAS 00757490
TL;DR: BAS 00757490 (CAS 331640-17-6) is a chemical compound with molecular formula C22H20F3NO5S3 and molecular weight 531.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2,2,6,7-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00757490, dimethyl 2-(2,2,6,7-tetramethyl-3-thioxo-1-(2,2,2-trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[2,2,6,7-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(2,2,6,7-tetramethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[2,2,6,7-tetramethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C22H20F3NO5S3 |
|---|---|
| Molecular Weight | 531.05 g/mol |
| LogP | 5.06704 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 531.0456 |
| Heavy Atoms | 34 |
| Complexity | 1170.9009 |
Chemical Identifiers
| CAS Number | 331640-17-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C(F)(F)F |
Product Overview
BAS 00757490 (CAS 331640-17-6), with molecular formula C22H20F3NO5S3 and molecular weight 531.05 g/mol. IUPAC: dimethyl 2-[2,2,6,7-tetramethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00757490
Property Insights of BAS 00757490
The XLogP value of 5.06704 indicates that BAS 00757490 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00757490. Following Lipinski's Rule of Five, BAS 00757490 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00757490?
The CAS number of BAS 00757490 is 331640-17-6.
What is the molecular formula of BAS 00757490?
The molecular formula of BAS 00757490 is C22H20F3NO5S3.
What is the molecular weight of BAS 00757490?
The molecular weight of BAS 00757490 is 531.05 g/mol.
Where can I buy BAS 00757490?
You can request a quote for BAS 00757490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00757490?
Yes, KEHONG BIO provides custom synthesis services for BAS 00757490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.