5H-dibenz(b,f)azepine-5-carbonitrile
TL;DR: 5H-dibenz(b,f)azepine-5-carbonitrile (CAS 42787-75-7) is a chemical compound with molecular formula C15H10N2 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b][1]benzazepine-11-carbonitrile
Also Known As: Not Available, 5-Cyano-5H-dibenz[b,f]azepine, 5-CYANO-5H-DIBENZO(B,F)AZEPINE, Dibenz[b,f]azepine-5-carbonitrile, 5H-DIBENZO[B,F]AZEPINE-5-CARBONITRILE
| Molecular Formula | C15H10N2 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.0844 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 42787-75-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C#N |
| InChIKey | KMJHZCLHURUEKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5H-dibenz(b,f)azepine-5-carbonitrile (CAS 42787-75-7), with molecular formula C15H10N2 and molecular weight 218.08 g/mol. IUPAC: benzo[b][1]benzazepine-11-carbonitrile.
Chemical Property Profile of 5H-dibenz(b,f)azepine-5-carbonitrile
Property Insights of 5H-dibenz(b,f)azepine-5-carbonitrile
The XLogP value of 4.1 indicates that 5H-dibenz(b,f)azepine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 5H-dibenz(b,f)azepine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-dibenz(b,f)azepine-5-carbonitrile has 0 hydrogen bond donor(s) and 2 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 5H-dibenz(b,f)azepine-5-carbonitrile?
The CAS number of 5H-dibenz(b,f)azepine-5-carbonitrile is 42787-75-7.
What is the molecular formula of 5H-dibenz(b,f)azepine-5-carbonitrile?
The molecular formula of 5H-dibenz(b,f)azepine-5-carbonitrile is C15H10N2.
What is the molecular weight of 5H-dibenz(b,f)azepine-5-carbonitrile?
The molecular weight of 5H-dibenz(b,f)azepine-5-carbonitrile is 218.08 g/mol.
Where can I buy 5H-dibenz(b,f)azepine-5-carbonitrile?
You can request a quote for 5H-dibenz(b,f)azepine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-dibenz(b,f)azepine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5H-dibenz(b,f)azepine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.