AF-399/32023037
TL;DR: AF-399/32023037 (CAS 17385-90-9) is a chemical compound with molecular formula C14H12N2O5S2 and molecular weight 352.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: AF-399/32023037, 4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, (Z)-4-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, F0207-0207, 4-(5-{4-nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid
| Molecular Formula | C14H12N2O5S2 |
|---|---|
| Molecular Weight | 352.02 g/mol |
| LogP | 2.6608 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.01877 |
| Heavy Atoms | 23 |
| Complexity | 699.6241 |
Chemical Identifiers
| CAS Number | 17385-90-9 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O)[N+](=O)[O-] |
Product Overview
AF-399/32023037 (CAS 17385-90-9), with molecular formula C14H12N2O5S2 and molecular weight 352.02 g/mol. IUPAC: 4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of AF-399/32023037
Property Insights of AF-399/32023037
The XLogP value of 2.6608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/32023037. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/32023037. Following Lipinski's Rule of Five, AF-399/32023037 has 1 hydrogen bond donor(s) and 6 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 AF-399/32023037?
The CAS number of AF-399/32023037 is 17385-90-9.
What is the molecular formula of AF-399/32023037?
The molecular formula of AF-399/32023037 is C14H12N2O5S2.
What is the molecular weight of AF-399/32023037?
The molecular weight of AF-399/32023037 is 352.02 g/mol.
Where can I buy AF-399/32023037?
You can request a quote for AF-399/32023037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/32023037?
Yes, KEHONG BIO provides custom synthesis services for AF-399/32023037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.