2-(1-Hydroxycyclohexyl)butanenitrile
TL;DR: 2-(1-Hydroxycyclohexyl)butanenitrile (CAS 7178-93-0) is a chemical compound with molecular formula C10H17NO and molecular weight 167.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-hydroxycyclohexyl)butanenitrile
Also Known As: 2-(1-hydroxycyclohexyl)butanenitrile
| Molecular Formula | C10H17NO |
|---|---|
| Molecular Weight | 167.13 g/mol |
| LogP | 2.23138 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.13101 |
| Heavy Atoms | 12 |
| Complexity | 176.76782 |
Chemical Identifiers
| CAS Number | 7178-93-0 |
|---|---|
| SMILES | CCC(C#N)C1(CCCCC1)O |
Product Overview
2-(1-Hydroxycyclohexyl)butanenitrile (CAS 7178-93-0), with molecular formula C10H17NO and molecular weight 167.13 g/mol. IUPAC: 2-(1-hydroxycyclohexyl)butanenitrile.
Chemical Property Profile of 2-(1-Hydroxycyclohexyl)butanenitrile
Property Insights of 2-(1-Hydroxycyclohexyl)butanenitrile
The XLogP value of 2.23138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Hydroxycyclohexyl)butanenitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 2-(1-Hydroxycyclohexyl)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Hydroxycyclohexyl)butanenitrile 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-(1-Hydroxycyclohexyl)butanenitrile?
The CAS number of 2-(1-Hydroxycyclohexyl)butanenitrile is 7178-93-0.
What is the molecular formula of 2-(1-Hydroxycyclohexyl)butanenitrile?
The molecular formula of 2-(1-Hydroxycyclohexyl)butanenitrile is C10H17NO.
What is the molecular weight of 2-(1-Hydroxycyclohexyl)butanenitrile?
The molecular weight of 2-(1-Hydroxycyclohexyl)butanenitrile is 167.13 g/mol.
Where can I buy 2-(1-Hydroxycyclohexyl)butanenitrile?
You can request a quote for 2-(1-Hydroxycyclohexyl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Hydroxycyclohexyl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Hydroxycyclohexyl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.