BAS 01045201
TL;DR: BAS 01045201 (CAS 309290-30-0) is a chemical compound with molecular formula C25H25NO2S3 and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-phenyl-2-(1,2,2,6-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4-carboxylate
Also Known As: BAS 01045201, A2165/0090906, (Z)-ethyl 5-phenyl-2-(1,2,2,6-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate, ethyl (2Z)-5-phenyl-2-(1,2,2,6-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4-carboxylate, ethyl (2Z)-5-phenyl-2-(1,2,2,6-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate
| Molecular Formula | C25H25NO2S3 |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 6.67382 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.10474 |
| Heavy Atoms | 31 |
| Complexity | 1132.711 |
Chemical Identifiers
| CAS Number | 309290-30-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C)/S1)C4=CC=CC=C4 |
Product Overview
BAS 01045201 (CAS 309290-30-0), with molecular formula C25H25NO2S3 and molecular weight 467.10 g/mol. IUPAC: ethyl (2Z)-5-phenyl-2-(1,2,2,6-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 01045201
Property Insights of BAS 01045201
The XLogP value of 6.67382 indicates that BAS 01045201 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, BAS 01045201 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01045201 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 01045201?
The CAS number of BAS 01045201 is 309290-30-0.
What is the molecular formula of BAS 01045201?
The molecular formula of BAS 01045201 is C25H25NO2S3.
What is the molecular weight of BAS 01045201?
The molecular weight of BAS 01045201 is 467.10 g/mol.
Where can I buy BAS 01045201?
You can request a quote for BAS 01045201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01045201?
Yes, KEHONG BIO provides custom synthesis services for BAS 01045201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.