1-Cyano-1-hydroxycyclohexane
TL;DR: 1-Cyano-1-hydroxycyclohexane (CAS 931-97-5) is a chemical compound with molecular formula C7H11NO and molecular weight 125.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxycyclohexane-1-carbonitrile
Also Known As: 1-Hydroxycyclohexanecarbonitrile, Cyclohexanone cyanohydrin, 1-hydroxycyclohexane-1-carbonitrile, 1-Hydroxy-1-cyclohexanecarbonitrile, Cyclohexanone, cyanohydrin
| Molecular Formula | C7H11NO |
|---|---|
| Molecular Weight | 125.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.08406 |
| Heavy Atoms | 9 |
| Complexity | 138.0 |
| Melting Point | 93 to 36.1 °C |
| Boiling Point | 228 to 112.8 °C at 9 mmHg |
| Solubility | 10 to 50 mg/mL at 74.3 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 931-97-5 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)O |
| InChIKey | ZDBRPNZOTCHLSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyano-1-hydroxycyclohexane (CAS 931-97-5), with molecular formula C7H11NO and molecular weight 125.08 g/mol. IUPAC: 1-hydroxycyclohexane-1-carbonitrile.
Chemical Property Profile of 1-Cyano-1-hydroxycyclohexane
Property Insights of 1-Cyano-1-hydroxycyclohexane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-1-hydroxycyclohexane. With a topological polar surface area (TPSA) of 44.0 Ų, 1-Cyano-1-hydroxycyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-1-hydroxycyclohexane 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 1-Cyano-1-hydroxycyclohexane?
The CAS number of 1-Cyano-1-hydroxycyclohexane is 931-97-5.
What is the molecular formula of 1-Cyano-1-hydroxycyclohexane?
The molecular formula of 1-Cyano-1-hydroxycyclohexane is C7H11NO.
What is the molecular weight of 1-Cyano-1-hydroxycyclohexane?
The molecular weight of 1-Cyano-1-hydroxycyclohexane is 125.08 g/mol.
Where can I buy 1-Cyano-1-hydroxycyclohexane?
You can request a quote for 1-Cyano-1-hydroxycyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-1-hydroxycyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-1-hydroxycyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.