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[1,1'-Biphenyl]-3-carbonitrile
TL;DR: [1,1'-Biphenyl]-3-carbonitrile (CAS 24973-50-0) is a chemical compound with molecular formula C13H9N and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylbenzonitrile
Also Known As: 3-Cyanobiphenyl, 3-phenylbenzonitrile, [1,1'-Biphenyl]-3-carbonitrile, 5-cyanobiphenyl, Octenyl succinate
| Molecular Formula | C13H9N |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0735 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 24973-50-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=CC(=C2)C#N |
| InChIKey | SYHJILPZUNKNHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1,1'-Biphenyl]-3-carbonitrile (CAS 24973-50-0), with molecular formula C13H9N and molecular weight 179.07 g/mol. IUPAC: 3-phenylbenzonitrile.
Chemical Property Profile of [1,1'-Biphenyl]-3-carbonitrile
Property Insights of [1,1'-Biphenyl]-3-carbonitrile
The XLogP value of 3.7 indicates that [1,1'-Biphenyl]-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, [1,1'-Biphenyl]-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,1'-Biphenyl]-3-carbonitrile has 0 hydrogen bond donor(s) and 1 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 [1,1'-Biphenyl]-3-carbonitrile?
The CAS number of [1,1'-Biphenyl]-3-carbonitrile is 24973-50-0.
What is the molecular formula of [1,1'-Biphenyl]-3-carbonitrile?
The molecular formula of [1,1'-Biphenyl]-3-carbonitrile is C13H9N.
What is the molecular weight of [1,1'-Biphenyl]-3-carbonitrile?
The molecular weight of [1,1'-Biphenyl]-3-carbonitrile is 179.07 g/mol.
Where can I buy [1,1'-Biphenyl]-3-carbonitrile?
You can request a quote for [1,1'-Biphenyl]-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,1'-Biphenyl]-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for [1,1'-Biphenyl]-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.