BAS 00458922
TL;DR: BAS 00458922 (CAS 328069-54-1) 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-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: BAS 00458922, BIM-0022164.P001, ethyl 2-(1-acetyl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(1-acetyl-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, (Z)-ethyl 2-(1-acetyl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-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 | 328069-54-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C)/S1)C4=CC=CC=C4 |
Product Overview
BAS 00458922 (CAS 328069-54-1), with molecular formula C26H25NO4S3 and molecular weight 511.09 g/mol. IUPAC: ethyl (2Z)-2-(1-acetyl-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00458922
Property Insights of BAS 00458922
The XLogP value of 6.2907 indicates that BAS 00458922 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 00458922 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458922 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 00458922?
The CAS number of BAS 00458922 is 328069-54-1.
What is the molecular formula of BAS 00458922?
The molecular formula of BAS 00458922 is C26H25NO4S3.
What is the molecular weight of BAS 00458922?
The molecular weight of BAS 00458922 is 511.09 g/mol.
Where can I buy BAS 00458922?
You can request a quote for BAS 00458922 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458922?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458922 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.