2-丙酰基苯甲腈
TL;DR: 2-丙酰基苯甲腈 (CAS 86977-44-8) 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.
2-丙酰基苯甲腈
2-propanoylbenzonitrile
Also Known As: 2-propanoylbenzonitrile, 2-propionylbenzonitrile, starbld0018155, 2-(1-Oxopropyl)benzonitrile, 1-(2-Cyanophenyl)propan-1-one
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 2.1 |
| 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 | 213.0 |
Chemical Identifiers
| CAS Number | 86977-44-8 |
|---|---|
| SMILES | CCC(=O)C1=CC=CC=C1C#N |
| InChIKey | RHWZMPUGKUQVIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丙酰基苯甲腈 (CAS 86977-44-8), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 2-propanoylbenzonitrile.
Chemical Property Profile of 2-丙酰基苯甲腈
Property Insights of 2-丙酰基苯甲腈
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丙酰基苯甲腈. With a topological polar surface area (TPSA) of 40.9 Ų, 2-丙酰基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丙酰基苯甲腈 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 2-丙酰基苯甲腈?
The CAS number of 2-丙酰基苯甲腈 is 86977-44-8.
What is the molecular formula of 2-丙酰基苯甲腈?
The molecular formula of 2-丙酰基苯甲腈 is C10H9NO.
What is the molecular weight of 2-丙酰基苯甲腈?
The molecular weight of 2-丙酰基苯甲腈 is 159.07 g/mol.
Where can I buy 2-丙酰基苯甲腈?
You can request a quote for 2-丙酰基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丙酰基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-丙酰基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.