BAS 00458924
TL;DR: BAS 00458924 (CAS 328070-85-5) is a chemical compound with molecular formula C26H25NO4S3 and molecular weight 511.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(1-acetyl-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: BAS 00458924, ethyl (2Z)-2-(1-acetyl-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(1-acetyl-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(1-acetyl-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl 2-(1-acetyl-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C26H25NO4S3 |
|---|---|
| Molecular Weight | 511.09 g/mol |
| LogP | 6.2907 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 511.09457 |
| Heavy Atoms | 34 |
| Complexity | 1247.947 |
Chemical Identifiers
| CAS Number | 328070-85-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=C(C=C(C=C3)OC)N(C(C2=S)(C)C)C(=O)C)/S1)C4=CC=CC=C4 |
Product Overview
BAS 00458924 (CAS 328070-85-5), with molecular formula C26H25NO4S3 and molecular weight 511.09 g/mol. IUPAC: ethyl (2Z)-2-(1-acetyl-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00458924
Property Insights of BAS 00458924
The XLogP value of 6.2907 indicates that BAS 00458924 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, BAS 00458924 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458924 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 BAS 00458924?
The CAS number of BAS 00458924 is 328070-85-5.
What is the molecular formula of BAS 00458924?
The molecular formula of BAS 00458924 is C26H25NO4S3.
What is the molecular weight of BAS 00458924?
The molecular weight of BAS 00458924 is 511.09 g/mol.
Where can I buy BAS 00458924?
You can request a quote for BAS 00458924 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458924?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458924 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.