BAS 00126807
TL;DR: BAS 00126807 (CAS 301655-47-0) is a chemical compound with molecular formula C27H25NO5S3 and molecular weight 539.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[2,2,6-trimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00126807, dimethyl 2-[2,2,6-trimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-[2,2,6-TRIMETHYL-1-(4-METHYLBENZOYL)-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(2,2,6-trimethyl-1-(4-methylbenzoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(2,2,6-trimethyl-1-(4-methylbenzoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C27H25NO5S3 |
|---|---|
| Molecular Weight | 539.09 g/mol |
| LogP | 5.81854 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 539.0895 |
| Heavy Atoms | 36 |
| Complexity | 1342.278 |
Chemical Identifiers
| CAS Number | 301655-47-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)C)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C |
Product Overview
BAS 00126807 (CAS 301655-47-0), with molecular formula C27H25NO5S3 and molecular weight 539.09 g/mol. IUPAC: dimethyl 2-[2,2,6-trimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00126807
Property Insights of BAS 00126807
The XLogP value of 5.81854 indicates that BAS 00126807 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 00126807. Following Lipinski's Rule of Five, BAS 00126807 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 00126807?
The CAS number of BAS 00126807 is 301655-47-0.
What is the molecular formula of BAS 00126807?
The molecular formula of BAS 00126807 is C27H25NO5S3.
What is the molecular weight of BAS 00126807?
The molecular weight of BAS 00126807 is 539.09 g/mol.
Where can I buy BAS 00126807?
You can request a quote for BAS 00126807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126807?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.