ChemDiv1_022674
TL;DR: ChemDiv1_022674 (CAS 331640-39-2) 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-(1-benzoyl-2,2,6,8-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_022674, DivK1c_003938, CDS1_002898, BAS 00757542, dimethyl 2-(1-benzoyl-2,2,6,8-tetramethyl-3-sulfanylidenequinolin-4-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 | 1345.278 |
Chemical Identifiers
| CAS Number | 331640-39-2 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=CC=C4)(C)C)C |
Product Overview
ChemDiv1_022674 (CAS 331640-39-2), with molecular formula C27H25NO5S3 and molecular weight 539.09 g/mol. IUPAC: dimethyl 2-(1-benzoyl-2,2,6,8-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_022674
Property Insights of ChemDiv1_022674
The XLogP value of 5.81854 indicates that ChemDiv1_022674 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 ChemDiv1_022674. Following Lipinski's Rule of Five, ChemDiv1_022674 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 ChemDiv1_022674?
The CAS number of ChemDiv1_022674 is 331640-39-2.
What is the molecular formula of ChemDiv1_022674?
The molecular formula of ChemDiv1_022674 is C27H25NO5S3.
What is the molecular weight of ChemDiv1_022674?
The molecular weight of ChemDiv1_022674 is 539.09 g/mol.
Where can I buy ChemDiv1_022674?
You can request a quote for ChemDiv1_022674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022674?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.