Biphenyl-2,2'-diacetonitrile
TL;DR: Biphenyl-2,2'-diacetonitrile (CAS 93012-30-7) is a chemical compound with molecular formula C16H12N2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(cyanomethyl)phenyl]phenyl]acetonitrile
Also Known As: Biphenyl-2,2'-diacetonitrile, 2,2'-Biphenyldiacetonitrile, biphenyl-2,2-diacetonitrile, 2-[2-[2-(cyanomethyl)phenyl]phenyl]acetonitrile, 2,2'-([1,1'-Biphenyl]-2,2'-diyl)diacetonitrile
| Molecular Formula | C16H12N2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10005 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 93012-30-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC#N)C2=CC=CC=C2CC#N |
| InChIKey | HUQBQMNLLVOXSZ-UHFFFAOYSA-N |
Product Overview
Biphenyl-2,2'-diacetonitrile (CAS 93012-30-7), with molecular formula C16H12N2 and molecular weight 232.10 g/mol. IUPAC: 2-[2-[2-(cyanomethyl)phenyl]phenyl]acetonitrile.
Chemical Property Profile of Biphenyl-2,2'-diacetonitrile
Property Insights of Biphenyl-2,2'-diacetonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Biphenyl-2,2'-diacetonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Biphenyl-2,2'-diacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Biphenyl-2,2'-diacetonitrile 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 Biphenyl-2,2'-diacetonitrile?
The CAS number of Biphenyl-2,2'-diacetonitrile is 93012-30-7.
What is the molecular formula of Biphenyl-2,2'-diacetonitrile?
The molecular formula of Biphenyl-2,2'-diacetonitrile is C16H12N2.
What is the molecular weight of Biphenyl-2,2'-diacetonitrile?
The molecular weight of Biphenyl-2,2'-diacetonitrile is 232.10 g/mol.
Where can I buy Biphenyl-2,2'-diacetonitrile?
You can request a quote for Biphenyl-2,2'-diacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Biphenyl-2,2'-diacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Biphenyl-2,2'-diacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.