BAS 00916251
TL;DR: BAS 00916251 (CAS 332074-18-7) is a chemical compound with molecular formula C24H23NO3S3 and molecular weight 469.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(6-ethoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Also Known As: BAS 00916251, (Z)-methyl 2-(6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, methyl (2Z)-2-(6-ethoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate, methyl 2-(6-ethoxy-2,2-dimethyl-3-thioxo(4-1,2-dihydroquinolylidene))-5-phenyl -1,3-dithiolene-4-carboxylate, methyl 2-(6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
| Molecular Formula | C24H23NO3S3 |
|---|---|
| Molecular Weight | 469.08 g/mol |
| LogP | 6.3497 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.084 |
| Heavy Atoms | 31 |
| Complexity | 1120.1444 |
Chemical Identifiers
| CAS Number | 332074-18-7 |
|---|---|
| SMILES | CCOC1=CC\2=C(C=C1)NC(C(=S)/C2=C\3/SC(=C(S3)C(=O)OC)C4=CC=CC=C4)(C)C |
Product Overview
BAS 00916251 (CAS 332074-18-7), with molecular formula C24H23NO3S3 and molecular weight 469.08 g/mol. IUPAC: methyl (2Z)-2-(6-ethoxy-2,2-dimethyl-3-sulfanylidene-1H-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00916251
Property Insights of BAS 00916251
The XLogP value of 6.3497 indicates that BAS 00916251 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, BAS 00916251 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00916251 has 1 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 00916251?
The CAS number of BAS 00916251 is 332074-18-7.
What is the molecular formula of BAS 00916251?
The molecular formula of BAS 00916251 is C24H23NO3S3.
What is the molecular weight of BAS 00916251?
The molecular weight of BAS 00916251 is 469.08 g/mol.
Where can I buy BAS 00916251?
You can request a quote for BAS 00916251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00916251?
Yes, KEHONG BIO provides custom synthesis services for BAS 00916251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.