BAS 00458916
TL;DR: BAS 00458916 (CAS 307337-41-3) is a chemical compound with molecular formula C24H23NO2S3 and molecular weight 453.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-phenyl-2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate
Also Known As: BAS 00458916, (Z)-ethyl 5-phenyl-2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate, ethyl (2Z)-5-phenyl-2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate, ethyl (2Z)-5-phenyl-2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate, ethyl 5-phenyl-2-(2,2,7-trimethyl-3-thioxo(4-1,2-dihydroquinolylidene))-1,3-di thiolene-4-carboxylate
| Molecular Formula | C24H23NO2S3 |
|---|---|
| Molecular Weight | 453.09 g/mol |
| LogP | 6.64952 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.08908 |
| Heavy Atoms | 30 |
| Complexity | 1100.6891 |
Chemical Identifiers
| CAS Number | 307337-41-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=C(C=C(C=C3)C)NC(C2=S)(C)C)/S1)C4=CC=CC=C4 |
Product Overview
BAS 00458916 (CAS 307337-41-3), with molecular formula C24H23NO2S3 and molecular weight 453.09 g/mol. IUPAC: ethyl (2Z)-5-phenyl-2-(2,2,7-trimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00458916
Property Insights of BAS 00458916
The XLogP value of 6.64952 indicates that BAS 00458916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, BAS 00458916 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458916 has 1 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 00458916?
The CAS number of BAS 00458916 is 307337-41-3.
What is the molecular formula of BAS 00458916?
The molecular formula of BAS 00458916 is C24H23NO2S3.
What is the molecular weight of BAS 00458916?
The molecular weight of BAS 00458916 is 453.09 g/mol.
Where can I buy BAS 00458916?
You can request a quote for BAS 00458916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458916?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.