![3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine structure](/static/products/5838/583811-95-4.webp)
3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
TL;DR: 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine (CAS 583811-95-4) is a chemical compound with molecular formula C13H23N3 and molecular weight 221.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-1-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
Also Known As: 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine, 10-butyl-8-ethyl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene, 3-butyl-1-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine, PYRAZOLO[3,4-B]AZEPINE, 3-BUTYL-1-ETHYL-1,4,5,6,7,8-HEXAHYDRO-
| Molecular Formula | C13H23N3 |
|---|---|
| Molecular Weight | 221.19 g/mol |
| LogP | 2.9938 |
| Topological Polar Surface Area | 29.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1892 |
| Heavy Atoms | 16 |
| Complexity | 341.19205 |
Chemical Identifiers
| CAS Number | 583811-95-4 |
|---|---|
| SMILES | CCCCC1=NN(C2=C1CCCCN2)CC |
Product Overview
3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine (CAS 583811-95-4), with molecular formula C13H23N3 and molecular weight 221.19 g/mol. IUPAC: 3-butyl-1-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine.
Chemical Property Profile of 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
Property Insights of 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
The XLogP value of 2.9938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine. With a topological polar surface area (TPSA) of 29.85 Ų, 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-1-ethyl-1,4,5,6,7,8-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 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine?
The CAS number of 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine is 583811-95-4.
What is the molecular formula of 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine?
The molecular formula of 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine is C13H23N3.
What is the molecular weight of 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine?
The molecular weight of 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine is 221.19 g/mol.
Where can I buy 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine?
You can request a quote for 3-Butyl-1-ethyl-1,4,5,6,7,8-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-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-1-ethyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.