Antiproliferative agent-50
TL;DR: Antiproliferative agent-50 (CAS 301675-59-2) 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-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: Antiproliferative agent-50, dimethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate, 4,5-DIMETHYL 2-(1-BUTANOYL-2,2,7-TRIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(1-butanoyl-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate, dimethyl 2-(1-butyryl-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C23H25NO5S3 |
|---|---|
| Molecular Weight | 491.09 g/mol |
| LogP | 4.99642 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.08948 |
| Heavy Atoms | 32 |
| Complexity | 1057.1028 |
Chemical Identifiers
| CAS Number | 301675-59-2 |
|---|---|
| SMILES | CCCC(=O)N1C2=C(C=CC(=C2)C)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C |
Product Overview
Antiproliferative agent-50 (CAS 301675-59-2), with molecular formula C23H25NO5S3 and molecular weight 491.09 g/mol. IUPAC: dimethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of Antiproliferative agent-50
Property Insights of Antiproliferative agent-50
The XLogP value of 4.99642 indicates that Antiproliferative agent-50 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 Antiproliferative agent-50. Following Lipinski's Rule of Five, Antiproliferative agent-50 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 Antiproliferative agent-50?
The CAS number of Antiproliferative agent-50 is 301675-59-2.
What is the molecular formula of Antiproliferative agent-50?
The molecular formula of Antiproliferative agent-50 is C23H25NO5S3.
What is the molecular weight of Antiproliferative agent-50?
The molecular weight of Antiproliferative agent-50 is 491.09 g/mol.
Where can I buy Antiproliferative agent-50?
You can request a quote for Antiproliferative agent-50 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antiproliferative agent-50?
Yes, KEHONG BIO provides custom synthesis services for Antiproliferative agent-50 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.