BAS 00364151
TL;DR: BAS 00364151 (CAS 5311-12-6) is a chemical compound with molecular formula C27H24FNO6S3 and molecular weight 573.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[6-ethoxy-1-(2-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00364151, dimethyl 2-[6-ethoxy-1-(2-fluorobenzoyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[6-ethoxy-1-(2-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(6-ethoxy-1-(2-fluorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, Dimethyl 2-[6-ethoxy-1-(2-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C27H24FNO6S3 |
|---|---|
| Molecular Weight | 573.07 g/mol |
| LogP | 5.7395 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 573.07495 |
| Heavy Atoms | 38 |
| Complexity | 1401.6414 |
Chemical Identifiers
| CAS Number | 5311-12-6 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=CC=C4F |
Product Overview
BAS 00364151 (CAS 5311-12-6), with molecular formula C27H24FNO6S3 and molecular weight 573.07 g/mol. IUPAC: dimethyl 2-[6-ethoxy-1-(2-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00364151
Property Insights of BAS 00364151
The XLogP value of 5.7395 indicates that BAS 00364151 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 00364151. Following Lipinski's Rule of Five, BAS 00364151 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 00364151?
The CAS number of BAS 00364151 is 5311-12-6.
What is the molecular formula of BAS 00364151?
The molecular formula of BAS 00364151 is C27H24FNO6S3.
What is the molecular weight of BAS 00364151?
The molecular weight of BAS 00364151 is 573.07 g/mol.
Where can I buy BAS 00364151?
You can request a quote for BAS 00364151 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00364151?
Yes, KEHONG BIO provides custom synthesis services for BAS 00364151 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.