BAS 00364146
TL;DR: BAS 00364146 (CAS 307339-95-3) is a chemical compound with molecular formula C25H20FNO5S3 and molecular weight 529.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-(2-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00364146, UPCMLD0ENAT0501-8179:001, dimethyl 2-[1-(2-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-[1-(2-FLUOROBENZOYL)-2,2-DIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(1-(2-fluorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C25H20FNO5S3 |
|---|---|
| Molecular Weight | 529.05 g/mol |
| LogP | 5.3408 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 529.04877 |
| Heavy Atoms | 35 |
| Complexity | 1318.1176 |
Chemical Identifiers
| CAS Number | 307339-95-3 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC=CC=C4F)C |
Product Overview
BAS 00364146 (CAS 307339-95-3), with molecular formula C25H20FNO5S3 and molecular weight 529.05 g/mol. IUPAC: dimethyl 2-[1-(2-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00364146
Property Insights of BAS 00364146
The XLogP value of 5.3408 indicates that BAS 00364146 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 00364146. Following Lipinski's Rule of Five, BAS 00364146 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00364146?
The CAS number of BAS 00364146 is 307339-95-3.
What is the molecular formula of BAS 00364146?
The molecular formula of BAS 00364146 is C25H20FNO5S3.
What is the molecular weight of BAS 00364146?
The molecular weight of BAS 00364146 is 529.05 g/mol.
Where can I buy BAS 00364146?
You can request a quote for BAS 00364146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00364146?
Yes, KEHONG BIO provides custom synthesis services for BAS 00364146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.