BAS 00458954
TL;DR: BAS 00458954 (CAS 258268-23-4) is a chemical compound with molecular formula C23H21NO2S3 and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: BAS 00458954, (Z)-ethyl 2-(2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl (2Z)-2-(2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, ethyl 2-(2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C23H21NO2S3 |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 6.3411 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.07346 |
| Heavy Atoms | 29 |
| Complexity | 1054.8025 |
Chemical Identifiers
| CAS Number | 258268-23-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(S/C(=C/2\C3=CC=CC=C3NC(C2=S)(C)C)/S1)C4=CC=CC=C4 |
Product Overview
BAS 00458954 (CAS 258268-23-4), with molecular formula C23H21NO2S3 and molecular weight 439.07 g/mol. IUPAC: ethyl (2Z)-2-(2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00458954
Property Insights of BAS 00458954
The XLogP value of 6.3411 indicates that BAS 00458954 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 00458954 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00458954 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 00458954?
The CAS number of BAS 00458954 is 258268-23-4.
What is the molecular formula of BAS 00458954?
The molecular formula of BAS 00458954 is C23H21NO2S3.
What is the molecular weight of BAS 00458954?
The molecular weight of BAS 00458954 is 439.07 g/mol.
Where can I buy BAS 00458954?
You can request a quote for BAS 00458954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00458954?
Yes, KEHONG BIO provides custom synthesis services for BAS 00458954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.