![4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile structure](/static/products/7218/721888-81-9.webp)
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile
TL;DR: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile (CAS 721888-81-9) is a chemical compound with molecular formula C15H16N4O and molecular weight 268.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile
Also Known As: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile, 4-[(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methoxy]benzonitrile
| Molecular Formula | C15H16N4O |
|---|---|
| Molecular Weight | 268.13 g/mol |
| LogP | 2.45518 |
| Topological Polar Surface Area | 63.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.13242 |
| Heavy Atoms | 20 |
| Complexity | 624.31335 |
Chemical Identifiers
| CAS Number | 721888-81-9 |
|---|---|
| SMILES | C1CCC2=NN=C(N2CC1)COC3=CC=C(C=C3)C#N |
Product Overview
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile (CAS 721888-81-9), with molecular formula C15H16N4O and molecular weight 268.13 g/mol. IUPAC: 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile.
Chemical Property Profile of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile
Property Insights of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile
The XLogP value of 2.45518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile. The TPSA of 63.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile. Following Lipinski's Rule of Five, 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile has 0 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-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile?
The CAS number of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile is 721888-81-9.
What is the molecular formula of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile?
The molecular formula of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile is C15H16N4O.
What is the molecular weight of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile?
The molecular weight of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile is 268.13 g/mol.
Where can I buy 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile?
You can request a quote for 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.