![1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine structure](/static/products/5838/583811-72-7.webp)
1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
TL;DR: 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine (CAS 583811-72-7) is a chemical compound with molecular formula C12H21N3 and molecular weight 207.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
Also Known As: 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine, 1-ethyl-3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine, 8-ethyl-10-propan-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene, PYRAZOLO[3,4-B]AZEPINE, 1-ETHYL-1,4,5,6,7,8-HEXAHYDRO-3-(1-METHYLETHYL)-
| Molecular Formula | C12H21N3 |
|---|---|
| Molecular Weight | 207.17 g/mol |
| LogP | 2.7746 |
| Topological Polar Surface Area | 29.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.17355 |
| Heavy Atoms | 15 |
| Complexity | 338.8816 |
Chemical Identifiers
| CAS Number | 583811-72-7 |
|---|---|
| SMILES | CCN1C2=C(CCCCN2)C(=N1)C(C)C |
Product Overview
1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine (CAS 583811-72-7), with molecular formula C12H21N3 and molecular weight 207.17 g/mol. IUPAC: 1-ethyl-3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine.
Chemical Property Profile of 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
Property Insights of 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
The XLogP value of 2.7746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine. With a topological polar surface area (TPSA) of 29.85 Ų, 1-Ethyl-3-isopropyl-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, 1-Ethyl-3-isopropyl-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 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine?
The CAS number of 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine is 583811-72-7.
What is the molecular formula of 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine?
The molecular formula of 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine is C12H21N3.
What is the molecular weight of 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine?
The molecular weight of 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine is 207.17 g/mol.
Where can I buy 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine?
You can request a quote for 1-Ethyl-3-isopropyl-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 1-Ethyl-3-isopropyl-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-isopropyl-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.