4-乙酰基苯乙腈
TL;DR: 4-乙酰基苯乙腈 (CAS 10266-42-9) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙酰基苯乙腈
2-(4-acetylphenyl)acetonitrile
Also Known As: 4-Acetylphenylacetonitrile, 2-(4-acetylphenyl)acetonitrile, (4-acetylphenyl)acetonitrile, 4-Acetylbenzeneacetonitrile, Benzeneacetonitrile, 4-acetyl-
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 10266-42-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)CC#N |
| InChIKey | OGRJRTLLXHAMOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙酰基苯乙腈 (CAS 10266-42-9), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 2-(4-acetylphenyl)acetonitrile.
Chemical Property Profile of 4-乙酰基苯乙腈
Property Insights of 4-乙酰基苯乙腈
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙酰基苯乙腈. With a topological polar surface area (TPSA) of 40.9 Ų, 4-乙酰基苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙酰基苯乙腈 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 4-乙酰基苯乙腈?
The CAS number of 4-乙酰基苯乙腈 is 10266-42-9.
What is the molecular formula of 4-乙酰基苯乙腈?
The molecular formula of 4-乙酰基苯乙腈 is C10H9NO.
What is the molecular weight of 4-乙酰基苯乙腈?
The molecular weight of 4-乙酰基苯乙腈 is 159.07 g/mol.
Where can I buy 4-乙酰基苯乙腈?
You can request a quote for 4-乙酰基苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙酰基苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 4-乙酰基苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.