AF-399/12153005
TL;DR: AF-399/12153005 (CAS 325821-40-7) is a chemical compound with molecular formula C16H17NO6S2 and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: AF-399/12153005, 2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]propanoic acid, F0712-0031, (E)-2-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoic acid, 2-{4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]-1,3-thiazolidin-3-yl}p ropanoic acid
| Molecular Formula | C16H17NO6S2 |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 2.3867 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.04974 |
| Heavy Atoms | 25 |
| Complexity | 735.987 |
Chemical Identifiers
| CAS Number | 325821-40-7 |
|---|---|
| SMILES | CC(C(=O)O)N1C(=O)/C(=C\C2=CC(=C(C(=C2)OC)OC)OC)/SC1=S |
Product Overview
AF-399/12153005 (CAS 325821-40-7), with molecular formula C16H17NO6S2 and molecular weight 383.05 g/mol. IUPAC: 2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of AF-399/12153005
Property Insights of AF-399/12153005
The XLogP value of 2.3867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/12153005. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/12153005. Following Lipinski's Rule of Five, AF-399/12153005 has 1 hydrogen bond donor(s) and 7 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-399/12153005?
The CAS number of AF-399/12153005 is 325821-40-7.
What is the molecular formula of AF-399/12153005?
The molecular formula of AF-399/12153005 is C16H17NO6S2.
What is the molecular weight of AF-399/12153005?
The molecular weight of AF-399/12153005 is 383.05 g/mol.
Where can I buy AF-399/12153005?
You can request a quote for AF-399/12153005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/12153005?
Yes, KEHONG BIO provides custom synthesis services for AF-399/12153005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.