AF-399/12152011
TL;DR: AF-399/12152011 (CAS 6594-02-1) is a chemical compound with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
Also Known As: AF-399/12152011, F0393-0635, (E)-2-(5-(furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)-3-methylbutanoic acid, 2-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid, 2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
| Molecular Formula | C13H13NO4S2 |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 2.59 |
| Topological Polar Surface Area | 70.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0286 |
| Heavy Atoms | 20 |
| Complexity | 577.2014 |
Chemical Identifiers
| CAS Number | 6594-02-1 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)/C(=C\C2=CC=CO2)/SC1=S |
Product Overview
AF-399/12152011 (CAS 6594-02-1), with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol. IUPAC: 2-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid.
Chemical Property Profile of AF-399/12152011
Property Insights of AF-399/12152011
The XLogP value of 2.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/12152011. The TPSA of 70.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/12152011. Following Lipinski's Rule of Five, AF-399/12152011 has 1 hydrogen bond donor(s) and 5 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-399/12152011?
The CAS number of AF-399/12152011 is 6594-02-1.
What is the molecular formula of AF-399/12152011?
The molecular formula of AF-399/12152011 is C13H13NO4S2.
What is the molecular weight of AF-399/12152011?
The molecular weight of AF-399/12152011 is 311.03 g/mol.
Where can I buy AF-399/12152011?
You can request a quote for AF-399/12152011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/12152011?
Yes, KEHONG BIO provides custom synthesis services for AF-399/12152011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.