![1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine structure](/static/products/5046/5046-22-0.webp)
1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
TL;DR: 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine (CAS 5046-22-0) is a chemical compound with molecular formula C21H22ClN3 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
Also Known As: 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine, 1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine, 8-(4-chloro-2-methyl-phenyl)-10-(2-methylphenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene
| Molecular Formula | C21H22ClN3 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 5.55774 |
| Topological Polar Surface Area | 29.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.15024 |
| Heavy Atoms | 25 |
| Complexity | 926.88574 |
Chemical Identifiers
| CAS Number | 5046-22-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN(C3=C2CCCCN3)C4=C(C=C(C=C4)Cl)C |
Product Overview
1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine (CAS 5046-22-0), with molecular formula C21H22ClN3 and molecular weight 351.15 g/mol. IUPAC: 1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine.
Chemical Property Profile of 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
Property Insights of 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
The XLogP value of 5.55774 indicates that 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-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-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-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-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The CAS number of 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is 5046-22-0.
What is the molecular formula of 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The molecular formula of 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is C21H22ClN3.
What is the molecular weight of 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The molecular weight of 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is 351.15 g/mol.
Where can I buy 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
You can request a quote for 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-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-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-2-methylphenyl)-3-(2-methylphenyl)-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.