3-Hydroxy-4-(1-naphthyloxy)butyronitrile
TL;DR: 3-Hydroxy-4-(1-naphthyloxy)butyronitrile (CAS 20804-76-6) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-naphthalen-1-yloxybutanenitrile
Also Known As: 3-Hydroxy-4-(1-naphthyloxy)butyronitrile, 3-hydroxy-4- butyronitrile, EINECS 244-048-2, 3-hydroxy-4-naphthalen-1-yloxybutanenitrile, 3-Hydroxy-4-(1-naphthyloxy)-butanenitrile
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.49318 |
| Topological Polar Surface Area | 53.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 539.9087 |
Chemical Identifiers
| CAS Number | 20804-76-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OCC(CC#N)O |
Product Overview
3-Hydroxy-4-(1-naphthyloxy)butyronitrile (CAS 20804-76-6), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: 3-hydroxy-4-naphthalen-1-yloxybutanenitrile.
Chemical Property Profile of 3-Hydroxy-4-(1-naphthyloxy)butyronitrile
Property Insights of 3-Hydroxy-4-(1-naphthyloxy)butyronitrile
The XLogP value of 2.49318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4-(1-naphthyloxy)butyronitrile. With a topological polar surface area (TPSA) of 53.25 Ų, 3-Hydroxy-4-(1-naphthyloxy)butyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-4-(1-naphthyloxy)butyronitrile 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-(1-naphthyloxy)butyronitrile?
The CAS number of 3-Hydroxy-4-(1-naphthyloxy)butyronitrile is 20804-76-6.
What is the molecular formula of 3-Hydroxy-4-(1-naphthyloxy)butyronitrile?
The molecular formula of 3-Hydroxy-4-(1-naphthyloxy)butyronitrile is C14H13NO2.
What is the molecular weight of 3-Hydroxy-4-(1-naphthyloxy)butyronitrile?
The molecular weight of 3-Hydroxy-4-(1-naphthyloxy)butyronitrile is 227.09 g/mol.
Where can I buy 3-Hydroxy-4-(1-naphthyloxy)butyronitrile?
You can request a quote for 3-Hydroxy-4-(1-naphthyloxy)butyronitrile 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-(1-naphthyloxy)butyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-(1-naphthyloxy)butyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.