硝酸-3-庚酯
TL;DR: 硝酸-3-庚酯 (CAS 82944-61-4) 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-3-庚酯
heptan-3-yl nitrate
Also Known As: heptan-3-yl nitrate, 3-Heptanol, nitrate, 3-Heptyl nitrate, 3-Nitrooxyheptane, Nitric acid 1-ethylpentyl ester
| Molecular Formula | C7H15NO3 |
|---|---|
| Molecular Weight | 161.11 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 | 161.1052 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 82944-61-4 |
|---|---|
| SMILES | CCCCC(CC)O[N+](=O)[O-] |
| InChIKey | RFSNRWONUSBTJN-UHFFFAOYSA-N |
Product Overview
硝酸-3-庚酯 (CAS 82944-61-4), with molecular formula C7H15NO3 and molecular weight 161.11 g/mol. IUPAC: heptan-3-yl nitrate.
Chemical Property Profile of 硝酸-3-庚酯
Property Insights of 硝酸-3-庚酯
The XLogP value of 3.2 indicates that 硝酸-3-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-3-庚酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸-3-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-3-庚酯?
The CAS number of 硝酸-3-庚酯 is 82944-61-4.
What is the molecular formula of 硝酸-3-庚酯?
The molecular formula of 硝酸-3-庚酯 is C7H15NO3.
What is the molecular weight of 硝酸-3-庚酯?
The molecular weight of 硝酸-3-庚酯 is 161.11 g/mol.
Where can I buy 硝酸-3-庚酯?
You can request a quote for 硝酸-3-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-3-庚酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸-3-庚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.