BAS 00721946
TL;DR: BAS 00721946 (CAS 331973-65-0) is a chemical compound with molecular formula C21H19NO5S3 and molecular weight 461.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00721946, dimethyl 2-(1-acryloyl-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-acryloyl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-[2,2-DIMETHYL-1-(PROP-2-ENOYL)-3-SULFANYLIDENEQUINOLIN-4-YLIDENE]-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C21H19NO5S3 |
|---|---|
| Molecular Weight | 461.04 g/mol |
| LogP | 4.0739 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.04254 |
| Heavy Atoms | 30 |
| Complexity | 1024.4764 |
Chemical Identifiers
| CAS Number | 331973-65-0 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C=C)C |
Product Overview
BAS 00721946 (CAS 331973-65-0), with molecular formula C21H19NO5S3 and molecular weight 461.04 g/mol. IUPAC: dimethyl 2-(2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00721946
Property Insights of BAS 00721946
The XLogP value of 4.0739 indicates that BAS 00721946 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00721946. Following Lipinski's Rule of Five, BAS 00721946 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 00721946?
The CAS number of BAS 00721946 is 331973-65-0.
What is the molecular formula of BAS 00721946?
The molecular formula of BAS 00721946 is C21H19NO5S3.
What is the molecular weight of BAS 00721946?
The molecular weight of BAS 00721946 is 461.04 g/mol.
Where can I buy BAS 00721946?
You can request a quote for BAS 00721946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721946?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.