ChemDiv1_023060
TL;DR: ChemDiv1_023060 (CAS 306326-17-0) is a chemical compound with molecular formula C23H25NO5S3 and molecular weight 491.09 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-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_023060, BAS 00315481, A2337/0098634, 4,5-DIMETHYL 2-[2,2,6-TRIMETHYL-1-(2-METHYLPROPANOYL)-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, 4,5-DIMETHYL 2-[2,2,6-TRIMETHYL-1-(2-METHYLPROPANOYL)-3-SULFANYLIDENEQUINOLIN-4-YLIDENE]-1,3-DITHIOLE-4,5-DICARBOXYLATE
| Molecular Formula | C23H25NO5S3 |
|---|---|
| Molecular Weight | 491.09 g/mol |
| LogP | 4.85232 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.08948 |
| Heavy Atoms | 32 |
| Complexity | 1070.8491 |
Chemical Identifiers
| CAS Number | 306326-17-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C(C)C |
Product Overview
ChemDiv1_023060 (CAS 306326-17-0), with molecular formula C23H25NO5S3 and molecular weight 491.09 g/mol. IUPAC: dimethyl 2-[2,2,6-trimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_023060
Property Insights of ChemDiv1_023060
The XLogP value of 4.85232 indicates that ChemDiv1_023060 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_023060. Following Lipinski's Rule of Five, ChemDiv1_023060 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023060?
The CAS number of ChemDiv1_023060 is 306326-17-0.
What is the molecular formula of ChemDiv1_023060?
The molecular formula of ChemDiv1_023060 is C23H25NO5S3.
What is the molecular weight of ChemDiv1_023060?
The molecular weight of ChemDiv1_023060 is 491.09 g/mol.
Where can I buy ChemDiv1_023060?
You can request a quote for ChemDiv1_023060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023060?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.