BAS 01094965
TL;DR: BAS 01094965 (CAS 336175-33-8) 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-[6-methoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 01094965, dimethyl 2-(6-methoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[6-methoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(6-methoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, DIMETHYL 2-[6-METHOXY-2,2-DIMETHYL-1-(3-METHYLBUTANOYL)-3-THIOXO-2,3-DIHYDRO-4(1H)-QUINOLINYLIDEN]-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C24H27NO6S3 |
|---|---|
| Molecular Weight | 521.10 g/mol |
| LogP | 4.9426 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 521.10004 |
| Heavy Atoms | 34 |
| Complexity | 1105.5175 |
Chemical Identifiers
| CAS Number | 336175-33-8 |
|---|---|
| SMILES | CC(C)CC(=O)N1C2=C(C=C(C=C2)OC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
BAS 01094965 (CAS 336175-33-8), with molecular formula C24H27NO6S3 and molecular weight 521.10 g/mol. IUPAC: dimethyl 2-[6-methoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 01094965
Property Insights of BAS 01094965
The XLogP value of 4.9426 indicates that BAS 01094965 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 01094965. Following Lipinski's Rule of Five, BAS 01094965 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 01094965?
The CAS number of BAS 01094965 is 336175-33-8.
What is the molecular formula of BAS 01094965?
The molecular formula of BAS 01094965 is C24H27NO6S3.
What is the molecular weight of BAS 01094965?
The molecular weight of BAS 01094965 is 521.10 g/mol.
Where can I buy BAS 01094965?
You can request a quote for BAS 01094965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01094965?
Yes, KEHONG BIO provides custom synthesis services for BAS 01094965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.