![3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine structure](/static/products/5855/585520-34-9.webp)
3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
TL;DR: 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine (CAS 585520-34-9) is a chemical compound with molecular formula C13H22N4 and molecular weight 234.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methylpiperidin-4-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
Also Known As: (2,4-DICHLORO-6-METHYLPHENOXY)ACETYL CHLORIDE, 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine, Pyrazolo[3,4-b]azepine, 1,4,5,6,7,8-hexahydro-3-(1-methyl-4-piperidinyl)- (9CI), 10-(1-methyl-4-piperidyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene, 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]az epine
| Molecular Formula | C13H22N4 |
|---|---|
| Molecular Weight | 234.18 g/mol |
| LogP | 1.9671 |
| Topological Polar Surface Area | 43.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.18445 |
| Heavy Atoms | 17 |
| Complexity | 376.7712 |
Chemical Identifiers
| CAS Number | 585520-34-9 |
|---|---|
| SMILES | CN1CCC(CC1)C2=C3CCCCNC3=NN2 |
Product Overview
3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine (CAS 585520-34-9), with molecular formula C13H22N4 and molecular weight 234.18 g/mol. IUPAC: 3-(1-methylpiperidin-4-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine.
Chemical Property Profile of 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
Property Insights of 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine
The XLogP value of 1.9671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine. With a topological polar surface area (TPSA) of 43.95 Ų, 3-(1-Methyl-4-piperidinyl)-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, 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine has 2 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-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The CAS number of 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is 585520-34-9.
What is the molecular formula of 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The molecular formula of 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is C13H22N4.
What is the molecular weight of 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
The molecular weight of 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine is 234.18 g/mol.
Where can I buy 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
You can request a quote for 3-(1-Methyl-4-piperidinyl)-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 3-(1-Methyl-4-piperidinyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methyl-4-piperidinyl)-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.