5-Butyl-2-hydroxybenzonitrile
TL;DR: 5-Butyl-2-hydroxybenzonitrile (CAS 52899-63-5) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-hydroxybenzonitrile
Also Known As: 5-butyl-2-hydroxybenzonitrile, 2-Cyano-4-butylphenol, Benzonitrile, 5-butyl-2-hydroxy-, 2-Hydroxy-5-butylbenzonitrile, 5-butyl-2-hydroxy-benzonitrile
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.60648 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 325.35242 |
Chemical Identifiers
| CAS Number | 52899-63-5 |
|---|---|
| SMILES | CCCCC1=CC(=C(C=C1)O)C#N |
Product Overview
5-Butyl-2-hydroxybenzonitrile (CAS 52899-63-5), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 5-butyl-2-hydroxybenzonitrile.
Chemical Property Profile of 5-Butyl-2-hydroxybenzonitrile
Property Insights of 5-Butyl-2-hydroxybenzonitrile
The XLogP value of 2.60648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyl-2-hydroxybenzonitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 5-Butyl-2-hydroxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-2-hydroxybenzonitrile 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 5-Butyl-2-hydroxybenzonitrile?
The CAS number of 5-Butyl-2-hydroxybenzonitrile is 52899-63-5.
What is the molecular formula of 5-Butyl-2-hydroxybenzonitrile?
The molecular formula of 5-Butyl-2-hydroxybenzonitrile is C11H13NO.
What is the molecular weight of 5-Butyl-2-hydroxybenzonitrile?
The molecular weight of 5-Butyl-2-hydroxybenzonitrile is 175.10 g/mol.
Where can I buy 5-Butyl-2-hydroxybenzonitrile?
You can request a quote for 5-Butyl-2-hydroxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butyl-2-hydroxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-2-hydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.