3-Amino-5,8-diphenyl-1,2,4-triazocine
TL;DR: 3-Amino-5,8-diphenyl-1,2,4-triazocine (CAS 109367-42-2) is a chemical compound with molecular formula C17H14N4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E,2Z,4E,6Z)-5,8-diphenyl-1,2,4-triazocin-3-amine
Also Known As: 3-Amino-5,8-diphenyl-1,2,4-triazocine, 3-Amino-5,8-diphenyl-1,2,4-triazocin, 5,8-Diphenyl-1,2,4-triazocin-3-amine, 5,8-Diphenyl-1,2,4-triazocin-3-ylamine, 5,8-diphenyl-[1,2,4]triazocin-3-ylamine
| Molecular Formula | C17H14N4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 2.7645 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.12186 |
| Heavy Atoms | 21 |
| Complexity | 740.87427 |
Chemical Identifiers
| CAS Number | 109367-42-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C/2=N/C(=N\N=C(/C=C2)\C3=CC=CC=C3)/N |
Product Overview
3-Amino-5,8-diphenyl-1,2,4-triazocine (CAS 109367-42-2), with molecular formula C17H14N4 and molecular weight 274.12 g/mol. IUPAC: (1E,2Z,4E,6Z)-5,8-diphenyl-1,2,4-triazocin-3-amine.
Chemical Property Profile of 3-Amino-5,8-diphenyl-1,2,4-triazocine
Property Insights of 3-Amino-5,8-diphenyl-1,2,4-triazocine
The XLogP value of 2.7645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5,8-diphenyl-1,2,4-triazocine. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5,8-diphenyl-1,2,4-triazocine. Following Lipinski's Rule of Five, 3-Amino-5,8-diphenyl-1,2,4-triazocine 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 3-Amino-5,8-diphenyl-1,2,4-triazocine?
The CAS number of 3-Amino-5,8-diphenyl-1,2,4-triazocine is 109367-42-2.
What is the molecular formula of 3-Amino-5,8-diphenyl-1,2,4-triazocine?
The molecular formula of 3-Amino-5,8-diphenyl-1,2,4-triazocine is C17H14N4.
What is the molecular weight of 3-Amino-5,8-diphenyl-1,2,4-triazocine?
The molecular weight of 3-Amino-5,8-diphenyl-1,2,4-triazocine is 274.12 g/mol.
Where can I buy 3-Amino-5,8-diphenyl-1,2,4-triazocine?
You can request a quote for 3-Amino-5,8-diphenyl-1,2,4-triazocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5,8-diphenyl-1,2,4-triazocine?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5,8-diphenyl-1,2,4-triazocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.