4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine
TL;DR: 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine (CAS 443327-23-9) is a chemical compound with molecular formula C11H12N4O and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-amino-1,2,4-triazol-4-yl)-3-phenylpropan-1-one
Also Known As: BAS 05290152, 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine, 1-(3-amino-1,2,4-triazol-4-yl)-3-phenylpropan-1-one, 1-(3-amino-4H-1,2,4-triazol-4-yl)-3-phenylpropan-1-one, AO-081/41480937
| Molecular Formula | C11H12N4O |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 1.1333 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.1011 |
| Heavy Atoms | 16 |
| Complexity | 477.7396 |
Chemical Identifiers
| CAS Number | 443327-23-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)N2C=NN=C2N |
Product Overview
4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine (CAS 443327-23-9), with molecular formula C11H12N4O and molecular weight 216.10 g/mol. IUPAC: 1-(3-amino-1,2,4-triazol-4-yl)-3-phenylpropan-1-one.
Chemical Property Profile of 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine
Property Insights of 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine
The XLogP value of 1.1333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine has 1 hydrogen bond donor(s) and 4 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 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine?
The CAS number of 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine is 443327-23-9.
What is the molecular formula of 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine?
The molecular formula of 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine is C11H12N4O.
What is the molecular weight of 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine?
The molecular weight of 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine is 216.10 g/mol.
Where can I buy 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine?
You can request a quote for 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.