BAS 00916254
TL;DR: BAS 00916254 (CAS 332074-21-2) 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.
methyl (2Z)-5-phenyl-2-(1,2,2-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4-carboxylate
Also Known As: BAS 00916254, AN-512/12674099, methyl (2Z)-5-phenyl-2-(1,2,2-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate, (Z)-methyl 5-phenyl-2-(1,2,2-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4-carboxylate, methyl (2Z)-5-phenyl-2-(1,2,2-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4-carboxylate
| Molecular Formula | C23H21NO2S3 |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 5.9753 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 439.07346 |
| Heavy Atoms | 29 |
| Complexity | 1070.5404 |
Chemical Identifiers
| CAS Number | 332074-21-2 |
|---|---|
| SMILES | CC1(C(=S)/C(=C\2/SC(=C(S2)C(=O)OC)C3=CC=CC=C3)/C4=CC=CC=C4N1C)C |
Product Overview
BAS 00916254 (CAS 332074-21-2), with molecular formula C23H21NO2S3 and molecular weight 439.07 g/mol. IUPAC: methyl (2Z)-5-phenyl-2-(1,2,2-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4-carboxylate.
Chemical Property Profile of BAS 00916254
Property Insights of BAS 00916254
The XLogP value of 5.9753 indicates that BAS 00916254 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 00916254 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00916254 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 00916254?
The CAS number of BAS 00916254 is 332074-21-2.
What is the molecular formula of BAS 00916254?
The molecular formula of BAS 00916254 is C23H21NO2S3.
What is the molecular weight of BAS 00916254?
The molecular weight of BAS 00916254 is 439.07 g/mol.
Where can I buy BAS 00916254?
You can request a quote for BAS 00916254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00916254?
Yes, KEHONG BIO provides custom synthesis services for BAS 00916254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.