ChemDiv1_022524
TL;DR: ChemDiv1_022524 (CAS 307329-33-5) is a chemical compound with molecular formula C21H21NO5S3 and molecular weight 463.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1-acetyl-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: ChemDiv1_022524, BAS 00225084, AB00075963-01, dimethyl 2-(1-acetyl-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-acetyl-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C21H21NO5S3 |
|---|---|
| Molecular Weight | 463.06 g/mol |
| LogP | 4.21622 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 463.0582 |
| Heavy Atoms | 30 |
| Complexity | 1024.7216 |
Chemical Identifiers
| CAS Number | 307329-33-5 |
|---|---|
| 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 |
Product Overview
ChemDiv1_022524 (CAS 307329-33-5), with molecular formula C21H21NO5S3 and molecular weight 463.06 g/mol. IUPAC: dimethyl 2-(1-acetyl-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_022524
Property Insights of ChemDiv1_022524
The XLogP value of 4.21622 indicates that ChemDiv1_022524 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_022524. Following Lipinski's Rule of Five, ChemDiv1_022524 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_022524?
The CAS number of ChemDiv1_022524 is 307329-33-5.
What is the molecular formula of ChemDiv1_022524?
The molecular formula of ChemDiv1_022524 is C21H21NO5S3.
What is the molecular weight of ChemDiv1_022524?
The molecular weight of ChemDiv1_022524 is 463.06 g/mol.
Where can I buy ChemDiv1_022524?
You can request a quote for ChemDiv1_022524 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022524?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022524 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.