![3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine structure](/static/products/7218/721886-25-5.webp)
3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine
TL;DR: 3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine (CAS 721886-25-5) is a chemical compound with molecular formula C15H18ClN3O and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloro-2-methylphenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Also Known As: 3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine, 3-[(4-chloro-2-methylphenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
| Molecular Formula | C15H18ClN3O |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 3.54532 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.11383 |
| Heavy Atoms | 20 |
| Complexity | 609.16125 |
Chemical Identifiers
| CAS Number | 721886-25-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC2=NN=C3N2CCCCC3 |
Product Overview
3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine (CAS 721886-25-5), with molecular formula C15H18ClN3O and molecular weight 291.11 g/mol. IUPAC: 3-[(4-chloro-2-methylphenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine.
Chemical Property Profile of 3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine
Property Insights of 3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine
The XLogP value of 3.54532 indicates that 3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, 3-[(4-chloro-2-methylphenoxy)methyl]-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-[(4-chloro-2-methylphenoxy)methyl]-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-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
The CAS number of 3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine is 721886-25-5.
What is the molecular formula of 3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
The molecular formula of 3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine is C15H18ClN3O.
What is the molecular weight of 3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
The molecular weight of 3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine is 291.11 g/mol.
Where can I buy 3-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
You can request a quote for 3-[(4-chloro-2-methylphenoxy)methyl]-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-[(4-chloro-2-methylphenoxy)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chloro-2-methylphenoxy)methyl]-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.