Benzonitrile, 4-(iodoacetyl)-
TL;DR: Benzonitrile, 4-(iodoacetyl)- (CAS 60694-92-0) is a chemical compound with molecular formula C9H6INO and molecular weight 270.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-iodoacetyl)benzonitrile
Also Known As: Benzonitrile, 4-(iodoacetyl)-, p-Cyanophenacyl iodide, 4-(2-iodoacetyl)benzonitrile, 4-(IODOACETYL)BENZONITRILE, HNVBRMKBEILKJD-UHFFFAOYSA-
| Molecular Formula | C9H6INO |
|---|---|
| Molecular Weight | 270.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.9494 |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 60694-92-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)CI |
| InChIKey | HNVBRMKBEILKJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 4-(iodoacetyl)- (CAS 60694-92-0), with molecular formula C9H6INO and molecular weight 270.95 g/mol. IUPAC: 4-(2-iodoacetyl)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(iodoacetyl)-
Property Insights of Benzonitrile, 4-(iodoacetyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(iodoacetyl)-. With a topological polar surface area (TPSA) of 40.9 Ų, Benzonitrile, 4-(iodoacetyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(iodoacetyl)- 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 Benzonitrile, 4-(iodoacetyl)-?
The CAS number of Benzonitrile, 4-(iodoacetyl)- is 60694-92-0.
What is the molecular formula of Benzonitrile, 4-(iodoacetyl)-?
The molecular formula of Benzonitrile, 4-(iodoacetyl)- is C9H6INO.
What is the molecular weight of Benzonitrile, 4-(iodoacetyl)-?
The molecular weight of Benzonitrile, 4-(iodoacetyl)- is 270.95 g/mol.
Where can I buy Benzonitrile, 4-(iodoacetyl)-?
You can request a quote for Benzonitrile, 4-(iodoacetyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(iodoacetyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(iodoacetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.