2-Isocyanobenzonitrile
TL;DR: 2-Isocyanobenzonitrile (CAS 90348-24-6) is a chemical compound with molecular formula C8H4N2 and molecular weight 128.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanobenzonitrile
Also Known As: 2-isocyanobenzonitrile, 2-Isocyano-benzonitrile, isocyanobenzonitrile, 2-Cyanophenylisocyanide, 2-isocyanobenzenenitrile
| Molecular Formula | C8H4N2 |
|---|---|
| Molecular Weight | 128.04 g/mol |
| LogP | 2.10907 |
| Topological Polar Surface Area | 28.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.03745 |
| Heavy Atoms | 10 |
| Complexity | 281.76486 |
Chemical Identifiers
| CAS Number | 90348-24-6 |
|---|---|
| SMILES | [C-]#[N+]C1=CC=CC=C1C#N |
Product Overview
2-Isocyanobenzonitrile (CAS 90348-24-6), with molecular formula C8H4N2 and molecular weight 128.04 g/mol. IUPAC: 2-isocyanobenzonitrile.
Chemical Property Profile of 2-Isocyanobenzonitrile
Property Insights of 2-Isocyanobenzonitrile
The XLogP value of 2.10907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyanobenzonitrile. With a topological polar surface area (TPSA) of 28.15 Ų, 2-Isocyanobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyanobenzonitrile 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 2-Isocyanobenzonitrile?
The CAS number of 2-Isocyanobenzonitrile is 90348-24-6.
What is the molecular formula of 2-Isocyanobenzonitrile?
The molecular formula of 2-Isocyanobenzonitrile is C8H4N2.
What is the molecular weight of 2-Isocyanobenzonitrile?
The molecular weight of 2-Isocyanobenzonitrile is 128.04 g/mol.
Where can I buy 2-Isocyanobenzonitrile?
You can request a quote for 2-Isocyanobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyanobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.