Cyclohexyl nitrate
TL;DR: Cyclohexyl nitrate (CAS 2108-66-9) is a chemical compound with molecular formula C6H11NO3 and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl nitrate
Also Known As: Cyclohexyl nitrate, cyclohexylnitrate, n-Hexadecanol-5, cyclohexanol nitrate, Nitric acid cyclohexyl
| Molecular Formula | C6H11NO3 |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.0739 |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 2108-66-9 |
|---|---|
| SMILES | C1CCC(CC1)O[N+](=O)[O-] |
| InChIKey | HLYOOCIMLHNMOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexyl nitrate (CAS 2108-66-9), with molecular formula C6H11NO3 and molecular weight 145.07 g/mol. IUPAC: cyclohexyl nitrate.
Chemical Property Profile of Cyclohexyl nitrate
Property Insights of Cyclohexyl nitrate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexyl nitrate. With a topological polar surface area (TPSA) of 55.1 Ų, Cyclohexyl nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl nitrate has 0 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 Cyclohexyl nitrate?
The CAS number of Cyclohexyl nitrate is 2108-66-9.
What is the molecular formula of Cyclohexyl nitrate?
The molecular formula of Cyclohexyl nitrate is C6H11NO3.
What is the molecular weight of Cyclohexyl nitrate?
The molecular weight of Cyclohexyl nitrate is 145.07 g/mol.
Where can I buy Cyclohexyl nitrate?
You can request a quote for Cyclohexyl nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl nitrate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.