![pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]- structure](/static/products/575/575431-40-2.png)
pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]-
TL;DR: pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]- (CAS 575431-40-2) is a chemical compound with molecular formula C22H18F3N3O and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-yl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
Also Known As: pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]-, Pyrazolo[3,4-b]azepine,3- -1,4,5,6,7,8-hexahydro-1-[3- phenyl]-, 10-benzofuran-2-yl-8-[3-(trifluoromethyl)phenyl]-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene, 3-(1-benzo[b]furan-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine, 3-(1-benzofuran-2-yl)-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine
| Molecular Formula | C22H18F3N3O |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 6.0525 |
| Topological Polar Surface Area | 42.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.1402 |
| Heavy Atoms | 29 |
| Complexity | 1156.7013 |
Chemical Identifiers
| CAS Number | 575431-40-2 |
|---|---|
| SMILES | C1CCNC2=C(C1)C(=NN2C3=CC=CC(=C3)C(F)(F)F)C4=CC5=CC=CC=C5O4 |
Product Overview
pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]- (CAS 575431-40-2), with molecular formula C22H18F3N3O and molecular weight 397.14 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine.
Chemical Property Profile of pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]-
Property Insights of pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]-
The XLogP value of 6.0525 indicates that pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]- 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,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]- 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,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]-?
The CAS number of pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]- is 575431-40-2.
What is the molecular formula of pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]-?
The molecular formula of pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]- is C22H18F3N3O.
What is the molecular weight of pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]-?
The molecular weight of pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]- is 397.14 g/mol.
Where can I buy pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]-?
You can request a quote for pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]- 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,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.