AF-399/13806237
TL;DR: AF-399/13806237 (CAS 304451-66-9) is a chemical compound with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-furan-2-ylmethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AF-399/13806237, N-[(E)-furan-2-ylmethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N'-(2-furylmethylene)-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-(furan-2-ylmethylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-2-furylmethylidene]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio}acetohydrazide
| Molecular Formula | C22H19N5O2S |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 4.07812 |
| Topological Polar Surface Area | 85.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.12595 |
| Heavy Atoms | 30 |
| Complexity | 1136.2617 |
Chemical Identifiers
| CAS Number | 304451-66-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=CO3)C4=CC=CC=C4 |
Product Overview
AF-399/13806237 (CAS 304451-66-9), with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol. IUPAC: N-[(E)-furan-2-ylmethylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AF-399/13806237
Property Insights of AF-399/13806237
The XLogP value of 4.07812 indicates that AF-399/13806237 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13806237. Following Lipinski's Rule of Five, AF-399/13806237 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-399/13806237?
The CAS number of AF-399/13806237 is 304451-66-9.
What is the molecular formula of AF-399/13806237?
The molecular formula of AF-399/13806237 is C22H19N5O2S.
What is the molecular weight of AF-399/13806237?
The molecular weight of AF-399/13806237 is 417.13 g/mol.
Where can I buy AF-399/13806237?
You can request a quote for AF-399/13806237 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13806237?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13806237 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.