2-Iodo-alpha-oxobenzeneacetonitrile
TL;DR: 2-Iodo-alpha-oxobenzeneacetonitrile (CAS 88562-27-0) is a chemical compound with molecular formula C8H4INO and molecular weight 256.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodobenzoyl cyanide
Also Known As: 2-iodobenzoyl cyanide, 2-Iodobenzene-1-carbonyl cyanide, 2-Iodo-alpha-oxobenzeneacetonitrile, 2-Iodo-I+/--oxobenzeneacetonitrile, 2-(2-iodophenyl)-2-oxo-acetonitrile
| Molecular Formula | C8H4INO |
|---|---|
| Molecular Weight | 256.93 g/mol |
| LogP | 1.99748 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.93375 |
| Heavy Atoms | 11 |
| Complexity | 327.1091 |
Chemical Identifiers
| CAS Number | 88562-27-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C#N)I |
Product Overview
2-Iodo-alpha-oxobenzeneacetonitrile (CAS 88562-27-0), with molecular formula C8H4INO and molecular weight 256.93 g/mol. IUPAC: 2-iodobenzoyl cyanide.
Chemical Property Profile of 2-Iodo-alpha-oxobenzeneacetonitrile
Property Insights of 2-Iodo-alpha-oxobenzeneacetonitrile
The XLogP value of 1.99748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodo-alpha-oxobenzeneacetonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 2-Iodo-alpha-oxobenzeneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-alpha-oxobenzeneacetonitrile 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 2-Iodo-alpha-oxobenzeneacetonitrile?
The CAS number of 2-Iodo-alpha-oxobenzeneacetonitrile is 88562-27-0.
What is the molecular formula of 2-Iodo-alpha-oxobenzeneacetonitrile?
The molecular formula of 2-Iodo-alpha-oxobenzeneacetonitrile is C8H4INO.
What is the molecular weight of 2-Iodo-alpha-oxobenzeneacetonitrile?
The molecular weight of 2-Iodo-alpha-oxobenzeneacetonitrile is 256.93 g/mol.
Where can I buy 2-Iodo-alpha-oxobenzeneacetonitrile?
You can request a quote for 2-Iodo-alpha-oxobenzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-alpha-oxobenzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-alpha-oxobenzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.