AF-399/41622151
TL;DR: AF-399/41622151 (CAS 606957-76-0) is a chemical compound with molecular formula C15H8IN3OS2 and molecular weight 436.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-iodophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: AF-399/41622151, (5Z)-5-[(4-iodophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, 5-(4-iodobenzylidene)-2-(2-thienyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C15H8IN3OS2 |
|---|---|
| Molecular Weight | 436.92 g/mol |
| LogP | 3.0318 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 436.91534 |
| Heavy Atoms | 22 |
| Complexity | 1049.0453 |
Chemical Identifiers
| CAS Number | 606957-76-0 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN3C(=O)/C(=C/C4=CC=C(C=C4)I)/SC3=N2 |
Product Overview
AF-399/41622151 (CAS 606957-76-0), with molecular formula C15H8IN3OS2 and molecular weight 436.92 g/mol. IUPAC: (5Z)-5-[(4-iodophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of AF-399/41622151
Property Insights of AF-399/41622151
The XLogP value of 3.0318 indicates that AF-399/41622151 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, AF-399/41622151 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41622151 has 0 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-399/41622151?
The CAS number of AF-399/41622151 is 606957-76-0.
What is the molecular formula of AF-399/41622151?
The molecular formula of AF-399/41622151 is C15H8IN3OS2.
What is the molecular weight of AF-399/41622151?
The molecular weight of AF-399/41622151 is 436.92 g/mol.
Where can I buy AF-399/41622151?
You can request a quote for AF-399/41622151 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41622151?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41622151 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.