CDS1_002993
TL;DR: CDS1_002993 (CAS 331840-92-7) is a chemical compound with molecular formula C26H22F3NO4S3 and molecular weight 565.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[6-methoxy-2,2-dimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: CDS1_002993, BAS 00619886, ethyl (2Z)-2-[6-methoxy-2,2-dimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(6-methoxy-2,2-dimethyl-3-thioxo-1-(2,2,2-trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-[6-methoxy-2,2-dimethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C26H22F3NO4S3 |
|---|---|
| Molecular Weight | 565.07 g/mol |
| LogP | 6.8331 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 565.0663 |
| Heavy Atoms | 37 |
| Complexity | 1350.5807 |
Chemical Identifiers
| CAS Number | 331840-92-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C(F)(F)F)/S1)C4=CC=CC=C4 |
Product Overview
CDS1_002993 (CAS 331840-92-7), with molecular formula C26H22F3NO4S3 and molecular weight 565.07 g/mol. IUPAC: ethyl (2Z)-2-[6-methoxy-2,2-dimethyl-3-sulfanylidene-1-(2,2,2-trifluoroacetyl)quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of CDS1_002993
Property Insights of CDS1_002993
The XLogP value of 6.8331 indicates that CDS1_002993 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, CDS1_002993 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_002993 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CDS1_002993?
The CAS number of CDS1_002993 is 331840-92-7.
What is the molecular formula of CDS1_002993?
The molecular formula of CDS1_002993 is C26H22F3NO4S3.
What is the molecular weight of CDS1_002993?
The molecular weight of CDS1_002993 is 565.07 g/mol.
Where can I buy CDS1_002993?
You can request a quote for CDS1_002993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_002993?
Yes, KEHONG BIO provides custom synthesis services for CDS1_002993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.