BAS 00126864
TL;DR: BAS 00126864 (CAS 258267-14-0) is a chemical compound with molecular formula C19H19NO4S3 and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1,2,2-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00126864, dimethyl 2-(1,2,2-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1,2,2-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1,2,2-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, methyl 5-(methoxycarbonyl)-2-(1,2,2-trimethyl-3-thioxo(4-1,2-dihydroquinolylid ene))-1,3-dithiolene-4-carboxylate
| Molecular Formula | C19H19NO4S3 |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 3.9911 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.0476 |
| Heavy Atoms | 27 |
| Complexity | 887.2848 |
Chemical Identifiers
| CAS Number | 258267-14-0 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C)C |
Product Overview
BAS 00126864 (CAS 258267-14-0), with molecular formula C19H19NO4S3 and molecular weight 421.05 g/mol. IUPAC: dimethyl 2-(1,2,2-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00126864
Property Insights of BAS 00126864
The XLogP value of 3.9911 indicates that BAS 00126864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, BAS 00126864 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00126864 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00126864?
The CAS number of BAS 00126864 is 258267-14-0.
What is the molecular formula of BAS 00126864?
The molecular formula of BAS 00126864 is C19H19NO4S3.
What is the molecular weight of BAS 00126864?
The molecular weight of BAS 00126864 is 421.05 g/mol.
Where can I buy BAS 00126864?
You can request a quote for BAS 00126864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126864?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.