BAS 00916174
TL;DR: BAS 00916174 (CAS 332073-92-4) is a chemical compound with molecular formula C26H22ClNO6S3 and molecular weight 575.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[1-[2-(4-chlorophenoxy)acetyl]-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: BAS 00916174, dimethyl 2-(1-[(4-chlorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-{1-[(4-chlorophenoxy)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-[1-[2-(4-chlorophenoxy)acetyl]-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-(2-(4-chlorophenoxy)acetyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C26H22ClNO6S3 |
|---|---|
| Molecular Weight | 575.03 g/mol |
| LogP | 5.6203 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 575.0298 |
| Heavy Atoms | 37 |
| Complexity | 1336.6218 |
Chemical Identifiers
| CAS Number | 332073-92-4 |
|---|---|
| SMILES | CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)COC4=CC=C(C=C4)Cl)C |
Product Overview
BAS 00916174 (CAS 332073-92-4), with molecular formula C26H22ClNO6S3 and molecular weight 575.03 g/mol. IUPAC: dimethyl 2-[1-[2-(4-chlorophenoxy)acetyl]-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of BAS 00916174
Property Insights of BAS 00916174
The XLogP value of 5.6203 indicates that BAS 00916174 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 00916174. Following Lipinski's Rule of Five, BAS 00916174 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 00916174?
The CAS number of BAS 00916174 is 332073-92-4.
What is the molecular formula of BAS 00916174?
The molecular formula of BAS 00916174 is C26H22ClNO6S3.
What is the molecular weight of BAS 00916174?
The molecular weight of BAS 00916174 is 575.03 g/mol.
Where can I buy BAS 00916174?
You can request a quote for BAS 00916174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00916174?
Yes, KEHONG BIO provides custom synthesis services for BAS 00916174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.