硝酸-3-辛酯
TL;DR: 硝酸-3-辛酯 (CAS 82944-62-5) is a chemical compound with molecular formula C8H17NO3 and molecular weight 175.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸-3-辛酯
octan-3-yl nitrate
Also Known As: octan-3-yl nitrate, 3-Octanol, nitrate, 3-Octyl nitrate, Ethyl-Hexyl-Nitrat, Nitric acid 1-ethylhexyl ester
| Molecular Formula | C8H17NO3 |
|---|---|
| Molecular Weight | 175.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 175.12085 |
| Heavy Atoms | 12 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 82944-62-5 |
|---|---|
| SMILES | CCCCCC(CC)O[N+](=O)[O-] |
| InChIKey | KDICWCURMCOQTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸-3-辛酯 (CAS 82944-62-5), with molecular formula C8H17NO3 and molecular weight 175.12 g/mol. IUPAC: octan-3-yl nitrate.
Chemical Property Profile of 硝酸-3-辛酯
Property Insights of 硝酸-3-辛酯
The XLogP value of 3.8 indicates that 硝酸-3-辛酯 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-3-辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸-3-辛酯 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-3-辛酯?
The CAS number of 硝酸-3-辛酯 is 82944-62-5.
What is the molecular formula of 硝酸-3-辛酯?
The molecular formula of 硝酸-3-辛酯 is C8H17NO3.
What is the molecular weight of 硝酸-3-辛酯?
The molecular weight of 硝酸-3-辛酯 is 175.12 g/mol.
Where can I buy 硝酸-3-辛酯?
You can request a quote for 硝酸-3-辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸-3-辛酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸-3-辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.