![3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile structure](/static/products/7082/70825-85-3.webp)
3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile
TL;DR: 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile (CAS 70825-85-3) is a chemical compound with molecular formula C12H11N3 and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile
Also Known As: 4-phenyl-5,7-diazabicyclo[4.1.0]hept-2-ene-7-carbonitrile, 3-PHENYL-2,7-DIAZABICYCLO[4.1.0]HEPT-4-ENE-7-CARBONITRILE, 3-phenyl-2,7-diaza-bicyclo[4.1.0]hept-4-ene-7-carbonitrile, 2,7-DIAZABICYCLO[4.1.0]HEPT-4-ENE-7-CARBONITRILE,3-PHENYL-
| Molecular Formula | C12H11N3 |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.09529 |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 70825-85-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C=CC3C(N2)N3C#N |
| InChIKey | RPDNCVUGIVVIEU-UHFFFAOYSA-N |
Product Overview
3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile (CAS 70825-85-3), with molecular formula C12H11N3 and molecular weight 197.10 g/mol. IUPAC: 3-phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile.
Chemical Property Profile of 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile
Property Insights of 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile. With a topological polar surface area (TPSA) of 38.8 Ų, 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile has 1 hydrogen bond donor(s) and 3 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 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile?
The CAS number of 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile is 70825-85-3.
What is the molecular formula of 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile?
The molecular formula of 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile is C12H11N3.
What is the molecular weight of 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile?
The molecular weight of 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile is 197.10 g/mol.
Where can I buy 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile?
You can request a quote for 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2,7-diazabicyclo[4.1.0]hept-4-ene-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.