AF-399/13806005
TL;DR: AF-399/13806005 (CAS 306756-05-8) is a chemical compound with molecular formula C22H19N5OS2 and molecular weight 433.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
Also Known As: AF-399/13806005, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide, 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(3-methyl-2-thienyl)methylene]acetohydrazide, 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(3-methylthiophen-2-yl)methylidene]acetohydrazide, (E)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((3-methylthiophen-2-yl)methylene)acetohydrazide
| Molecular Formula | C22H19N5OS2 |
|---|---|
| Molecular Weight | 433.10 g/mol |
| LogP | 4.54662 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.1031 |
| Heavy Atoms | 30 |
| Complexity | 1152.7617 |
Chemical Identifiers
| CAS Number | 306756-05-8 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
AF-399/13806005 (CAS 306756-05-8), with molecular formula C22H19N5OS2 and molecular weight 433.10 g/mol. IUPAC: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide.
Chemical Property Profile of AF-399/13806005
Property Insights of AF-399/13806005
The XLogP value of 4.54662 indicates that AF-399/13806005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13806005. Following Lipinski's Rule of Five, AF-399/13806005 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-399/13806005?
The CAS number of AF-399/13806005 is 306756-05-8.
What is the molecular formula of AF-399/13806005?
The molecular formula of AF-399/13806005 is C22H19N5OS2.
What is the molecular weight of AF-399/13806005?
The molecular weight of AF-399/13806005 is 433.10 g/mol.
Where can I buy AF-399/13806005?
You can request a quote for AF-399/13806005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13806005?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13806005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.