![Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]- structure](/static/products/582/582292-26-0.png)
Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]-
TL;DR: Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]- (CAS 582292-26-0) is a chemical compound with molecular formula C22H18N4O and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(1-benzofuran-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepin-1-yl]benzonitrile
Also Known As: Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]-, benzonitrile,4-[3-5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]-, 4-(10-benzofuran-2-yl-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-8-yl)benzonitrile, 4-[3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile, 4-[3-(1-benzo[b]furan-2-yl)-5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1(4H)-yl]benzonitrile
| Molecular Formula | C22H18N4O |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 4.90538 |
| Topological Polar Surface Area | 66.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.14807 |
| Heavy Atoms | 27 |
| Complexity | 1128.4615 |
Chemical Identifiers
| CAS Number | 582292-26-0 |
|---|---|
| SMILES | C1CCNC2=C(C1)C(=NN2C3=CC=C(C=C3)C#N)C4=CC5=CC=CC=C5O4 |
Product Overview
Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]- (CAS 582292-26-0), with molecular formula C22H18N4O and molecular weight 354.15 g/mol. IUPAC: 4-[3-(1-benzofuran-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepin-1-yl]benzonitrile.
Chemical Property Profile of Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]-
Property Insights of Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]-
The XLogP value of 4.90538 indicates that Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]-. Following Lipinski's Rule of Five, Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]- has 1 hydrogen bond donor(s) and 4 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 Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]-?
The CAS number of Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]- is 582292-26-0.
What is the molecular formula of Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]-?
The molecular formula of Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]- is C22H18N4O.
What is the molecular weight of Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]-?
The molecular weight of Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]- is 354.15 g/mol.
Where can I buy Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]-?
You can request a quote for Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile,4-[3- -5,6,7,8-tetrahydropyrazolo[3,4-b]azepin-1 -yl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.