BAS 00364150
TL;DR: BAS 00364150 (CAS 327171-03-9) is a chemical compound with molecular formula C26H22FNO6S3 and molecular weight 559.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-(2-fluorobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00364150, dimethyl 2-(1-(2-fluorobenzoyl)-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[1-(2-fluorobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-(2-fluorobenzoyl)-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, DIMETHYL 2-[1-(2-FLUOROBENZOYL)-7-METHOXY-2,2-DIMETHYL-3-THIOXO-2,3-DIHYDRO-4(1H)-QUINOLINYLIDEN]-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C26H22FNO6S3 |
|---|---|
| Molecular Weight | 559.06 g/mol |
| LogP | 5.3494 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 559.0593 |
| Heavy Atoms | 37 |
| Complexity | 1384.7721 |
Chemical Identifiers
| CAS Number | 327171-03-9 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=CC=C4F)C=C(C=C3)OC)C |
Product Overview
BAS 00364150 (CAS 327171-03-9), with molecular formula C26H22FNO6S3 and molecular weight 559.06 g/mol. IUPAC: dimethyl 2-[1-(2-fluorobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00364150
Property Insights of BAS 00364150
The XLogP value of 5.3494 indicates that BAS 00364150 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 00364150. Following Lipinski's Rule of Five, BAS 00364150 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 00364150?
The CAS number of BAS 00364150 is 327171-03-9.
What is the molecular formula of BAS 00364150?
The molecular formula of BAS 00364150 is C26H22FNO6S3.
What is the molecular weight of BAS 00364150?
The molecular weight of BAS 00364150 is 559.06 g/mol.
Where can I buy BAS 00364150?
You can request a quote for BAS 00364150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00364150?
Yes, KEHONG BIO provides custom synthesis services for BAS 00364150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.