ChemDiv1_021289
TL;DR: ChemDiv1_021289 (CAS 336175-41-8) is a chemical compound with molecular formula C23H25NO6S3 and molecular weight 507.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(6-ethoxy-2,2-dimethyl-1-propanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_021289, BAS 01094968, dimethyl 2-(6-ethoxy-2,2-dimethyl-1-propanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-(6-ETHOXY-2,2-DIMETHYL-1-PROPANOYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(6-ethoxy-2,2-dimethyl-1-propanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C23H25NO6S3 |
|---|---|
| Molecular Weight | 507.08 g/mol |
| LogP | 4.6966 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.0844 |
| Heavy Atoms | 33 |
| Complexity | 1075.414 |
Chemical Identifiers
| CAS Number | 336175-41-8 |
|---|---|
| SMILES | CCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
ChemDiv1_021289 (CAS 336175-41-8), with molecular formula C23H25NO6S3 and molecular weight 507.08 g/mol. IUPAC: dimethyl 2-(6-ethoxy-2,2-dimethyl-1-propanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_021289
Property Insights of ChemDiv1_021289
The XLogP value of 4.6966 indicates that ChemDiv1_021289 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 ChemDiv1_021289. Following Lipinski's Rule of Five, ChemDiv1_021289 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 ChemDiv1_021289?
The CAS number of ChemDiv1_021289 is 336175-41-8.
What is the molecular formula of ChemDiv1_021289?
The molecular formula of ChemDiv1_021289 is C23H25NO6S3.
What is the molecular weight of ChemDiv1_021289?
The molecular weight of ChemDiv1_021289 is 507.08 g/mol.
Where can I buy ChemDiv1_021289?
You can request a quote for ChemDiv1_021289 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021289?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.