硝酸辛酯
TL;DR: 硝酸辛酯 (CAS 629-39-0) 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.
硝酸辛酯
octyl nitrate
Also Known As: Octyl nitrate, n-Octyl nitrate, 1-Nitrooxyoctane, 1-Octyl nitrate, nitric acid octyl ester
| Molecular Formula | C8H17NO3 |
|---|---|
| Molecular Weight | 175.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 175.12085 |
| Heavy Atoms | 12 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 629-39-0 |
|---|---|
| SMILES | CCCCCCCCO[N+](=O)[O-] |
| InChIKey | TXQBMQNFXYOIPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸辛酯 (CAS 629-39-0), with molecular formula C8H17NO3 and molecular weight 175.12 g/mol. IUPAC: octyl nitrate.
Chemical Property Profile of 硝酸辛酯
Property Insights of 硝酸辛酯
The XLogP value of 3.9 indicates that 硝酸辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 硝酸辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸辛酯 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 硝酸辛酯?
The CAS number of 硝酸辛酯 is 629-39-0.
What is the molecular formula of 硝酸辛酯?
The molecular formula of 硝酸辛酯 is C8H17NO3.
What is the molecular weight of 硝酸辛酯?
The molecular weight of 硝酸辛酯 is 175.12 g/mol.
Where can I buy 硝酸辛酯?
You can request a quote for 硝酸辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸辛酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.