硝酸己酯
TL;DR: 硝酸己酯 (CAS 20633-11-8) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸己酯
hexyl nitrate
Also Known As: HEXYL NITRATE, Nitric acid, hexyl ester, n-Hexyl nitrate, hexylnitrate, 1-Nitrooxyhexane
| Molecular Formula | C6H13NO3 |
|---|---|
| Molecular Weight | 147.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 147.08954 |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
| Vapor Pressure | 1.58 [mmHg] |
Chemical Identifiers
| CAS Number | 20633-11-8 |
|---|---|
| SMILES | CCCCCCO[N+](=O)[O-] |
| InChIKey | AGDYNDJUZRMYRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸己酯 (CAS 20633-11-8), with molecular formula C6H13NO3 and molecular weight 147.09 g/mol. IUPAC: hexyl nitrate.
Chemical Property Profile of 硝酸己酯
Property Insights of 硝酸己酯
The XLogP value of 3.2 indicates that 硝酸己酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 硝酸己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸己酯 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 硝酸己酯?
The CAS number of 硝酸己酯 is 20633-11-8.
What is the molecular formula of 硝酸己酯?
The molecular formula of 硝酸己酯 is C6H13NO3.
What is the molecular weight of 硝酸己酯?
The molecular weight of 硝酸己酯 is 147.09 g/mol.
Where can I buy 硝酸己酯?
You can request a quote for 硝酸己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸己酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.