BAS 00501771
TL;DR: BAS 00501771 (CAS 330181-44-7) is a chemical compound with molecular formula C22H23NO6S3 and molecular weight 493.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1-acetyl-8-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00501771, BIM-0022996.P001, AB00087614-01, dimethyl 2-(1-acetyl-8-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-(1-ACETYL-8-ETHOXY-2,2-DIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C22H23NO6S3 |
|---|---|
| Molecular Weight | 493.07 g/mol |
| LogP | 4.3065 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.06876 |
| Heavy Atoms | 32 |
| Complexity | 1059.1371 |
Chemical Identifiers
| CAS Number | 330181-44-7 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C |
Product Overview
BAS 00501771 (CAS 330181-44-7), with molecular formula C22H23NO6S3 and molecular weight 493.07 g/mol. IUPAC: dimethyl 2-(1-acetyl-8-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00501771
Property Insights of BAS 00501771
The XLogP value of 4.3065 indicates that BAS 00501771 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 00501771. Following Lipinski's Rule of Five, BAS 00501771 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 00501771?
The CAS number of BAS 00501771 is 330181-44-7.
What is the molecular formula of BAS 00501771?
The molecular formula of BAS 00501771 is C22H23NO6S3.
What is the molecular weight of BAS 00501771?
The molecular weight of BAS 00501771 is 493.07 g/mol.
Where can I buy BAS 00501771?
You can request a quote for BAS 00501771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00501771?
Yes, KEHONG BIO provides custom synthesis services for BAS 00501771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.