![2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone structure](/static/products/6998/6998-62-5.webp)
2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone
TL;DR: 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone (CAS 6998-62-5) is a chemical compound with molecular formula C22H23ClN4O and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone
Also Known As: 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone, 2-[(4-chlorophenyl)methyl-(1,8,9-triazabicyclo[5.3.0]deca-7,9-dien-10-yl)amino]-1-phenyl-ethanone, 2-{[(4-Chlorophenyl)methyl](6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino}-1-phenylethan-1-one
| Molecular Formula | C22H23ClN4O |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 4.5474 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.15604 |
| Heavy Atoms | 28 |
| Complexity | 936.9304 |
Chemical Identifiers
| CAS Number | 6998-62-5 |
|---|---|
| SMILES | C1CCC2=NN=C(N2CC1)N(CC3=CC=C(C=C3)Cl)CC(=O)C4=CC=CC=C4 |
Product Overview
2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone (CAS 6998-62-5), with molecular formula C22H23ClN4O and molecular weight 394.16 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone.
Chemical Property Profile of 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone
Property Insights of 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone
The XLogP value of 4.5474 indicates that 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone 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 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone?
The CAS number of 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone is 6998-62-5.
What is the molecular formula of 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone?
The molecular formula of 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone is C22H23ClN4O.
What is the molecular weight of 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone?
The molecular weight of 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone is 394.16 g/mol.
Where can I buy 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone?
You can request a quote for 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-chlorophenyl)methyl-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)amino]-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.