4-Acetamidophenylacetonitrile
TL;DR: 4-Acetamidophenylacetonitrile (CAS 452-66-4) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(cyanomethyl)phenyl]acetamide
Also Known As: 4-Acetamidophenylacetonitrile, N-[4-(Cyanomethyl)phenyl]acetamide, Hodgkinsine, N-(4-(Cyanomethyl)phenyl)acetamide, Maybridge3_000519
| Molecular Formula | C10H10N2O |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.07932 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 452-66-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)CC#N |
| InChIKey | SPAOQNOLRMENDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetamidophenylacetonitrile (CAS 452-66-4), with molecular formula C10H10N2O and molecular weight 174.08 g/mol. IUPAC: N-[4-(cyanomethyl)phenyl]acetamide.
Chemical Property Profile of 4-Acetamidophenylacetonitrile
Property Insights of 4-Acetamidophenylacetonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamidophenylacetonitrile. With a topological polar surface area (TPSA) of 52.9 Ų, 4-Acetamidophenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetamidophenylacetonitrile has 1 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 4-Acetamidophenylacetonitrile?
The CAS number of 4-Acetamidophenylacetonitrile is 452-66-4.
What is the molecular formula of 4-Acetamidophenylacetonitrile?
The molecular formula of 4-Acetamidophenylacetonitrile is C10H10N2O.
What is the molecular weight of 4-Acetamidophenylacetonitrile?
The molecular weight of 4-Acetamidophenylacetonitrile is 174.08 g/mol.
Where can I buy 4-Acetamidophenylacetonitrile?
You can request a quote for 4-Acetamidophenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamidophenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamidophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.