3-Hydroxy-4-phenoxybutanenitrile
TL;DR: 3-Hydroxy-4-phenoxybutanenitrile (CAS 57281-49-9) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-phenoxybutanenitrile
Also Known As: 3-Hydroxy-4-phenoxybutanenitrile, 3-Hydroxy-4-phenoxybutyronitrile, 3-hydroxy-4-phenoxy-butanenitrile, 3-hydroxy-4-phenoxy-butyronitrile, Butanenitrile,3-hydroxy-4-phenoxy
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 57281-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(CC#N)O |
| InChIKey | KJJPPYGFSUFUAH-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-4-phenoxybutanenitrile (CAS 57281-49-9), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 3-hydroxy-4-phenoxybutanenitrile.
Chemical Property Profile of 3-Hydroxy-4-phenoxybutanenitrile
Property Insights of 3-Hydroxy-4-phenoxybutanenitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4-phenoxybutanenitrile. With a topological polar surface area (TPSA) of 53.3 Ų, 3-Hydroxy-4-phenoxybutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-4-phenoxybutanenitrile has 1 hydrogen bond donor(s) and 3 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 3-Hydroxy-4-phenoxybutanenitrile?
The CAS number of 3-Hydroxy-4-phenoxybutanenitrile is 57281-49-9.
What is the molecular formula of 3-Hydroxy-4-phenoxybutanenitrile?
The molecular formula of 3-Hydroxy-4-phenoxybutanenitrile is C10H11NO2.
What is the molecular weight of 3-Hydroxy-4-phenoxybutanenitrile?
The molecular weight of 3-Hydroxy-4-phenoxybutanenitrile is 177.08 g/mol.
Where can I buy 3-Hydroxy-4-phenoxybutanenitrile?
You can request a quote for 3-Hydroxy-4-phenoxybutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-phenoxybutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-phenoxybutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.