BAS 00268287
TL;DR: BAS 00268287 (CAS 327166-67-6) is a chemical compound with molecular formula C26H22FNO5S3 and molecular weight 543.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00268287, dimethyl 2-[1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-[1-(4-FLUOROBENZOYL)-2,2,6-TRIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C26H22FNO5S3 |
|---|---|
| Molecular Weight | 543.06 g/mol |
| LogP | 5.64922 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 543.0644 |
| Heavy Atoms | 36 |
| Complexity | 1348.4485 |
Chemical Identifiers
| CAS Number | 327166-67-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=C(C=C4)F |
Product Overview
BAS 00268287 (CAS 327166-67-6), with molecular formula C26H22FNO5S3 and molecular weight 543.06 g/mol. IUPAC: dimethyl 2-[1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00268287
Property Insights of BAS 00268287
The XLogP value of 5.64922 indicates that BAS 00268287 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 00268287. Following Lipinski's Rule of Five, BAS 00268287 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 00268287?
The CAS number of BAS 00268287 is 327166-67-6.
What is the molecular formula of BAS 00268287?
The molecular formula of BAS 00268287 is C26H22FNO5S3.
What is the molecular weight of BAS 00268287?
The molecular weight of BAS 00268287 is 543.06 g/mol.
Where can I buy BAS 00268287?
You can request a quote for BAS 00268287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00268287?
Yes, KEHONG BIO provides custom synthesis services for BAS 00268287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.