![Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- structure](/static/products/5787/578705-16-5.webp)
Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro-
TL;DR: Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- (CAS 578705-16-5) is a chemical compound with molecular formula C22H20ClN3O2 and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-yl)-1-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
Also Known As: Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro-, Pyrazolo[3,4-b]azepine, 3-(2-benzofuranyl)-1-(5-chloro-2-methoxyphenyl)-1,4,5,6,7,8-hexahydro- (9CI), 10-benzofuran-2-yl-8-(5-chloro-2-methoxy-phenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene, 3-(1-benzo[b]furan-2-yl)-1-(5-chloro-2-methoxyphenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine, 3-(1-benzofuran-2-yl)-1-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine
| Molecular Formula | C22H20ClN3O2 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 5.6957 |
| Topological Polar Surface Area | 52.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.1244 |
| Heavy Atoms | 28 |
| Complexity | 1129.016 |
Chemical Identifiers
| CAS Number | 578705-16-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)N2C3=C(CCCCN3)C(=N2)C4=CC5=CC=CC=C5O4 |
Product Overview
Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- (CAS 578705-16-5), with molecular formula C22H20ClN3O2 and molecular weight 393.12 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-1-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine.
Chemical Property Profile of Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro-
Property Insights of Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro-
The XLogP value of 5.6957 indicates that Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.22 Ų, Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro-?
The CAS number of Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- is 578705-16-5.
What is the molecular formula of Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro-?
The molecular formula of Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- is C22H20ClN3O2.
What is the molecular weight of Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro-?
The molecular weight of Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- is 393.12 g/mol.
Where can I buy Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro-?
You can request a quote for Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.