2-(4-羟基苯基)丙腈
TL;DR: 2-(4-羟基苯基)丙腈 (CAS 21850-61-3) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-羟基苯基)丙腈
2-(4-hydroxyphenyl)propanenitrile
Also Known As: 2-(4-hydroxyphenyl)propanenitrile, 2- propiononitrile, 2-(4-Hydroxyphenyl)propiononitrile, 4-(alpha-cyanoethyl)phenol, 4-hydroxyphenylpropanenitrile
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 21850-61-3 |
|---|---|
| SMILES | CC(C#N)C1=CC=C(C=C1)O |
| InChIKey | BTNSSVRIZUUYGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-羟基苯基)丙腈 (CAS 21850-61-3), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2-(4-hydroxyphenyl)propanenitrile.
Chemical Property Profile of 2-(4-羟基苯基)丙腈
Property Insights of 2-(4-羟基苯基)丙腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-羟基苯基)丙腈. With a topological polar surface area (TPSA) of 44.0 Ų, 2-(4-羟基苯基)丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-羟基苯基)丙腈 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 2-(4-羟基苯基)丙腈?
The CAS number of 2-(4-羟基苯基)丙腈 is 21850-61-3.
What is the molecular formula of 2-(4-羟基苯基)丙腈?
The molecular formula of 2-(4-羟基苯基)丙腈 is C9H9NO.
What is the molecular weight of 2-(4-羟基苯基)丙腈?
The molecular weight of 2-(4-羟基苯基)丙腈 is 147.07 g/mol.
Where can I buy 2-(4-羟基苯基)丙腈?
You can request a quote for 2-(4-羟基苯基)丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-羟基苯基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-羟基苯基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.