BAS 00721947
TL;DR: BAS 00721947 (CAS 331973-66-1) is a chemical compound with molecular formula C22H21NO5S3 and molecular weight 475.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(2,2,6-trimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00721947, dimethyl 2-(1-acryloyl-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-[2,2,6-TRIMETHYL-1-(PROP-2-ENOYL)-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, 4,5-DIMETHYL 2-[2,2,6-TRIMETHYL-1-(PROP-2-ENOYL)-3-SULFANYLIDENEQUINOLIN-4-YLIDENE]-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(2,2,6-trimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C22H21NO5S3 |
|---|---|
| Molecular Weight | 475.06 g/mol |
| LogP | 4.38232 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.0582 |
| Heavy Atoms | 31 |
| Complexity | 1070.3636 |
Chemical Identifiers
| CAS Number | 331973-66-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C=C |
Product Overview
BAS 00721947 (CAS 331973-66-1), with molecular formula C22H21NO5S3 and molecular weight 475.06 g/mol. IUPAC: dimethyl 2-(2,2,6-trimethyl-1-prop-2-enoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00721947
Property Insights of BAS 00721947
The XLogP value of 4.38232 indicates that BAS 00721947 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 00721947. Following Lipinski's Rule of Five, BAS 00721947 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 00721947?
The CAS number of BAS 00721947 is 331973-66-1.
What is the molecular formula of BAS 00721947?
The molecular formula of BAS 00721947 is C22H21NO5S3.
What is the molecular weight of BAS 00721947?
The molecular weight of BAS 00721947 is 475.06 g/mol.
Where can I buy BAS 00721947?
You can request a quote for BAS 00721947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721947?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.