Iodoacetonitrile
TL;DR: Iodoacetonitrile (CAS 624-75-9) is a chemical compound with molecular formula C2H2IN and molecular weight 166.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodoacetonitrile
Also Known As: Iodoacetonitrile, 2-iodoacetonitrile, Acetonitrile, iodo-, iodacetonitril, Cyaniodmethan
| Molecular Formula | C2H2IN |
|---|---|
| Molecular Weight | 166.92 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.9232 |
| Heavy Atoms | 4 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 624-75-9 |
|---|---|
| SMILES | C(C#N)I |
| InChIKey | VODKOOOHHCAWFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iodoacetonitrile (CAS 624-75-9), with molecular formula C2H2IN and molecular weight 166.92 g/mol. IUPAC: 2-iodoacetonitrile.
Chemical Property Profile of Iodoacetonitrile
Property Insights of Iodoacetonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iodoacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Iodoacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iodoacetonitrile 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 Iodoacetonitrile?
The CAS number of Iodoacetonitrile is 624-75-9.
What is the molecular formula of Iodoacetonitrile?
The molecular formula of Iodoacetonitrile is C2H2IN.
What is the molecular weight of Iodoacetonitrile?
The molecular weight of Iodoacetonitrile is 166.92 g/mol.
Where can I buy Iodoacetonitrile?
You can request a quote for Iodoacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodoacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Iodoacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.