1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
TL;DR: 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine (CAS 694477-21-9) is a chemical compound with molecular formula C13H10N4O2 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone
Also Known As: BAS 06344271, 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine, AE-848/42278407, (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone, 2-(furan-2-carbonyl)-5-phenyl-2,3-dihydro-1H-1,2,4-triazol-3-imine
| Molecular Formula | C13H10N4O2 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 1.8088 |
| Topological Polar Surface Area | 86.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.08037 |
| Heavy Atoms | 19 |
| Complexity | 701.59064 |
Chemical Identifiers
| CAS Number | 694477-21-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)C3=CC=CO3 |
Product Overview
1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine (CAS 694477-21-9), with molecular formula C13H10N4O2 and molecular weight 254.08 g/mol. IUPAC: (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(furan-2-yl)methanone.
Chemical Property Profile of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
Property Insights of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
The XLogP value of 1.8088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine. The TPSA of 86.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine has 1 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 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
The CAS number of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine is 694477-21-9.
What is the molecular formula of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
The molecular formula of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine is C13H10N4O2.
What is the molecular weight of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
The molecular weight of 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine is 254.08 g/mol.
Where can I buy 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
You can request a quote for 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-furoyl)-3-phenyl-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.