![3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine structure](/static/products/7902/790272-46-7.webp)
3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine
TL;DR: 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine (CAS 790272-46-7) is a chemical compound with molecular formula C14H16FN3O and molecular weight 261.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-fluorophenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Also Known As: 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine, 3-[(3-fluorophenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine, 3-[(3-fluorophenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine, 3-(3-fluorophenoxy)methyl-5H,6H,7H,8H,9H-1,2,4triazolo4,3-aazepine
| Molecular Formula | C14H16FN3O |
|---|---|
| Molecular Weight | 261.13 g/mol |
| LogP | 2.7226 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.12775 |
| Heavy Atoms | 19 |
| Complexity | 567.5688 |
Chemical Identifiers
| CAS Number | 790272-46-7 |
|---|---|
| SMILES | C1CCC2=NN=C(N2CC1)COC3=CC(=CC=C3)F |
Product Overview
3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine (CAS 790272-46-7), with molecular formula C14H16FN3O and molecular weight 261.13 g/mol. IUPAC: 3-[(3-fluorophenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine.
Chemical Property Profile of 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine
Property Insights of 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine
The XLogP value of 2.7226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine. With a topological polar surface area (TPSA) of 39.94 Ų, 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine has 0 hydrogen bond donor(s) and 3 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-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
The CAS number of 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine is 790272-46-7.
What is the molecular formula of 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
The molecular formula of 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine is C14H16FN3O.
What is the molecular weight of 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
The molecular weight of 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine is 261.13 g/mol.
Where can I buy 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
You can request a quote for 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Fluorophenoxymethyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.