BAS 00721954
TL;DR: BAS 00721954 (CAS 331973-71-8) is a chemical compound with molecular formula C31H27NO3S3 and molecular weight 557.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[2,2-dimethyl-1-(2-phenylacetyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: BAS 00721954, ethyl 2-(2,2-dimethyl-1-(phenylacetyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(2,2-dimethyl-1-(2-phenylacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-[2,2-dimethyl-1-(2-phenylacetyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-[2,2-dimethyl-1-(phenylacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C31H27NO3S3 |
|---|---|
| Molecular Weight | 557.12 g/mol |
| LogP | 7.5049 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 557.1153 |
| Heavy Atoms | 38 |
| Complexity | 1476.474 |
Chemical Identifiers
| CAS Number | 331973-71-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)CC4=CC=CC=C4)/S1)C5=CC=CC=C5 |
Product Overview
BAS 00721954 (CAS 331973-71-8), with molecular formula C31H27NO3S3 and molecular weight 557.12 g/mol. IUPAC: ethyl (2Z)-2-[2,2-dimethyl-1-(2-phenylacetyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00721954
Property Insights of BAS 00721954
The XLogP value of 7.5049 indicates that BAS 00721954 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 00721954 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00721954 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 00721954?
The CAS number of BAS 00721954 is 331973-71-8.
What is the molecular formula of BAS 00721954?
The molecular formula of BAS 00721954 is C31H27NO3S3.
What is the molecular weight of BAS 00721954?
The molecular weight of BAS 00721954 is 557.12 g/mol.
Where can I buy BAS 00721954?
You can request a quote for BAS 00721954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721954?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.