硝酸庚酯
TL;DR: 硝酸庚酯 (CAS 20736-08-7) is a chemical compound with molecular formula C7H15NO3 and molecular weight 161.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸庚酯
heptyl nitrate
Also Known As: Heptyl nitrate, n-Heptyl nitrate, n-Heptylnitrate, 1-Nitrooxyheptane, Heptyl nitrate #
| Molecular Formula | C7H15NO3 |
|---|---|
| Molecular Weight | 161.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 161.1052 |
| Heavy Atoms | 11 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 20736-08-7 |
|---|---|
| SMILES | CCCCCCCO[N+](=O)[O-] |
| InChIKey | JYMDZTRYDIQILZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸庚酯 (CAS 20736-08-7), with molecular formula C7H15NO3 and molecular weight 161.11 g/mol. IUPAC: heptyl nitrate.
Chemical Property Profile of 硝酸庚酯
Property Insights of 硝酸庚酯
The XLogP value of 3.4 indicates that 硝酸庚酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 硝酸庚酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸庚酯 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 硝酸庚酯?
The CAS number of 硝酸庚酯 is 20736-08-7.
What is the molecular formula of 硝酸庚酯?
The molecular formula of 硝酸庚酯 is C7H15NO3.
What is the molecular weight of 硝酸庚酯?
The molecular weight of 硝酸庚酯 is 161.11 g/mol.
Where can I buy 硝酸庚酯?
You can request a quote for 硝酸庚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸庚酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸庚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.