BAS 00416455
TL;DR: BAS 00416455 (CAS 327168-23-0) is a chemical compound with molecular formula C24H27NO6S3 and molecular weight 521.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00416455, dimethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-butyryl-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-(1-BUTANOYL-6-ETHOXY-2,2-DIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C24H27NO6S3 |
|---|---|
| Molecular Weight | 521.10 g/mol |
| LogP | 5.0867 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.10004 |
| Heavy Atoms | 34 |
| Complexity | 1091.7051 |
Chemical Identifiers
| CAS Number | 327168-23-0 |
|---|---|
| SMILES | CCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
BAS 00416455 (CAS 327168-23-0), with molecular formula C24H27NO6S3 and molecular weight 521.10 g/mol. IUPAC: dimethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00416455
Property Insights of BAS 00416455
The XLogP value of 5.0867 indicates that BAS 00416455 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 00416455. Following Lipinski's Rule of Five, BAS 00416455 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00416455?
The CAS number of BAS 00416455 is 327168-23-0.
What is the molecular formula of BAS 00416455?
The molecular formula of BAS 00416455 is C24H27NO6S3.
What is the molecular weight of BAS 00416455?
The molecular weight of BAS 00416455 is 521.10 g/mol.
Where can I buy BAS 00416455?
You can request a quote for BAS 00416455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00416455?
Yes, KEHONG BIO provides custom synthesis services for BAS 00416455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.