![1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine structure](/static/products/5038/5038-22-2.webp)
1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
TL;DR: 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine (CAS 5038-22-2) is a chemical compound with molecular formula C16H20ClN3 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
Also Known As: 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine, 1-(2-chlorophenyl)-3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine, 8-(2-chlorophenyl)-10-propan-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene
| Molecular Formula | C16H20ClN3 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 4.3973 |
| Topological Polar Surface Area | 29.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.13458 |
| Heavy Atoms | 20 |
| Complexity | 616.1797 |
Chemical Identifiers
| CAS Number | 5038-22-2 |
|---|---|
| SMILES | CC(C)C1=NN(C2=C1CCCCN2)C3=CC=CC=C3Cl |
Product Overview
1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine (CAS 5038-22-2), with molecular formula C16H20ClN3 and molecular weight 289.13 g/mol. IUPAC: 1-(2-chlorophenyl)-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine.
Chemical Property Profile of 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
Property Insights of 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
The XLogP value of 4.3973 indicates that 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.85 Ų, 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine has 1 hydrogen bond donor(s) and 2 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-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The CAS number of 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is 5038-22-2.
What is the molecular formula of 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The molecular formula of 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is C16H20ClN3.
What is the molecular weight of 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The molecular weight of 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is 289.13 g/mol.
Where can I buy 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
You can request a quote for 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorophenyl)-3-(propan-2-yl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.