硝酸戊-3-酯
TL;DR: 硝酸戊-3-酯 (CAS 82944-59-0) is a chemical compound with molecular formula C5H11NO3 and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸戊-3-酯
pentan-3-yl nitrate
Also Known As: pentan-3-yl nitrate, 3-pentyl nitrate, 3-Pentanol, nitrate, 3-Nitrooxypentane, 1-ethylpropyl nitrate
| Molecular Formula | C5H11NO3 |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.0739 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 82944-59-0 |
|---|---|
| SMILES | CCC(CC)O[N+](=O)[O-] |
| InChIKey | WQZKKVJFBZPJSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝酸戊-3-酯 (CAS 82944-59-0), with molecular formula C5H11NO3 and molecular weight 133.07 g/mol. IUPAC: pentan-3-yl nitrate.
Chemical Property Profile of 硝酸戊-3-酯
Property Insights of 硝酸戊-3-酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝酸戊-3-酯. With a topological polar surface area (TPSA) of 55.1 Ų, 硝酸戊-3-酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸戊-3-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 硝酸戊-3-酯?
The CAS number of 硝酸戊-3-酯 is 82944-59-0.
What is the molecular formula of 硝酸戊-3-酯?
The molecular formula of 硝酸戊-3-酯 is C5H11NO3.
What is the molecular weight of 硝酸戊-3-酯?
The molecular weight of 硝酸戊-3-酯 is 133.07 g/mol.
Where can I buy 硝酸戊-3-酯?
You can request a quote for 硝酸戊-3-酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸戊-3-酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸戊-3-酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.