Hydroxy(1-hydroxycyclohexyl)acetonitrile
TL;DR: Hydroxy(1-hydroxycyclohexyl)acetonitrile (CAS 8039-23-4) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(1-hydroxycyclohexyl)acetonitrile
Also Known As: hydroxy(1-hydroxycyclohexyl)acetonitrile, 2-hydroxy-2-(1-hydroxycyclohexyl)acetonitrile
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 8039-23-4 |
|---|---|
| SMILES | C1CCC(CC1)(C(C#N)O)O |
| InChIKey | HGJUHAOHLNBKQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroxy(1-hydroxycyclohexyl)acetonitrile (CAS 8039-23-4), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: 2-hydroxy-2-(1-hydroxycyclohexyl)acetonitrile.
Chemical Property Profile of Hydroxy(1-hydroxycyclohexyl)acetonitrile
Property Insights of Hydroxy(1-hydroxycyclohexyl)acetonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxy(1-hydroxycyclohexyl)acetonitrile. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxy(1-hydroxycyclohexyl)acetonitrile. Following Lipinski's Rule of Five, Hydroxy(1-hydroxycyclohexyl)acetonitrile has 2 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 Hydroxy(1-hydroxycyclohexyl)acetonitrile?
The CAS number of Hydroxy(1-hydroxycyclohexyl)acetonitrile is 8039-23-4.
What is the molecular formula of Hydroxy(1-hydroxycyclohexyl)acetonitrile?
The molecular formula of Hydroxy(1-hydroxycyclohexyl)acetonitrile is C8H13NO2.
What is the molecular weight of Hydroxy(1-hydroxycyclohexyl)acetonitrile?
The molecular weight of Hydroxy(1-hydroxycyclohexyl)acetonitrile is 155.09 g/mol.
Where can I buy Hydroxy(1-hydroxycyclohexyl)acetonitrile?
You can request a quote for Hydroxy(1-hydroxycyclohexyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxy(1-hydroxycyclohexyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Hydroxy(1-hydroxycyclohexyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.