BAS 00802041
TL;DR: BAS 00802041 (CAS 332019-61-1) is a chemical compound with molecular formula C22H21NO6S3 and molecular weight 491.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(8-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00802041, dimethyl 2-(1-acryloyl-8-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(8-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, methyl 2-(8-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-thioxo(4-1,2-dihydroquinolyl idene))-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
| Molecular Formula | C22H21NO6S3 |
|---|---|
| Molecular Weight | 491.05 g/mol |
| LogP | 4.0825 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.0531 |
| Heavy Atoms | 32 |
| Complexity | 1088.663 |
Chemical Identifiers
| CAS Number | 332019-61-1 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C=C)C(=CC=C3)OC)C |
Product Overview
BAS 00802041 (CAS 332019-61-1), with molecular formula C22H21NO6S3 and molecular weight 491.05 g/mol. IUPAC: dimethyl 2-(8-methoxy-2,2-dimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00802041
Property Insights of BAS 00802041
The XLogP value of 4.0825 indicates that BAS 00802041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00802041. Following Lipinski's Rule of Five, BAS 00802041 has 0 hydrogen bond donor(s) and 9 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 00802041?
The CAS number of BAS 00802041 is 332019-61-1.
What is the molecular formula of BAS 00802041?
The molecular formula of BAS 00802041 is C22H21NO6S3.
What is the molecular weight of BAS 00802041?
The molecular weight of BAS 00802041 is 491.05 g/mol.
Where can I buy BAS 00802041?
You can request a quote for BAS 00802041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00802041?
Yes, KEHONG BIO provides custom synthesis services for BAS 00802041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.