![Pyrazolo[3,4-b]azepine,3- -1- -1,4,5,6,7,8-hexahydro- structure](/static/products/5779/577957-46-1.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 577957-46-1) is a chemical compound with molecular formula C22H20ClN3O and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-yl)-1-(4-chloro-2-methylphenyl)-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-, 10-benzofuran-2-yl-8-(4-chloro-2-methyl-phenyl)-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene, 3-(1-benzo[b]furan-2-yl)-1-(4-chloro-2-methylphenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine, 3-(1-Benzofuran-2-yl)-1-(4-chloro-2-methylphenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine, 3-(1-benzofuran-2-yl)-1-(4-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine
| Molecular Formula | C22H20ClN3O |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 5.99552 |
| Topological Polar Surface Area | 42.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.1295 |
| Heavy Atoms | 27 |
| Complexity | 1108.8792 |
Chemical Identifiers
| CAS Number | 577957-46-1 |
|---|---|
| SMILES | CC1=C(C=CC(=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 577957-46-1), with molecular formula C22H20ClN3O and molecular weight 377.13 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-1-(4-chloro-2-methylphenyl)-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 5.99552 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 42.99 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 3 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 577957-46-1.
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 C22H20ClN3O.
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 377.13 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.