异戊基硝酸酯
TL;DR: 异戊基硝酸酯 (CAS 543-87-3) 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.
异戊基硝酸酯
3-methylbutyl nitrate
Also Known As: Isoamyl nitrate, Isopentyl nitrate, 3-Methylbutyl nitrate, iso-Pentyl nitrate, Iso-amyl nitrate
| Molecular Formula | C5H11NO3 |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 2.8 |
| 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 | 86.0 |
| Vapor Pressure | 5.44 [mmHg] |
Chemical Identifiers
| CAS Number | 543-87-3 |
|---|---|
| SMILES | CC(C)CCO[N+](=O)[O-] |
| InChIKey | NTHGIYFSMNNHSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异戊基硝酸酯 (CAS 543-87-3), with molecular formula C5H11NO3 and molecular weight 133.07 g/mol. IUPAC: 3-methylbutyl nitrate.
Chemical Property Profile of 异戊基硝酸酯
Property Insights of 异戊基硝酸酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异戊基硝酸酯. With a topological polar surface area (TPSA) of 55.1 Ų, 异戊基硝酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异戊基硝酸酯 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 异戊基硝酸酯?
The CAS number of 异戊基硝酸酯 is 543-87-3.
What is the molecular formula of 异戊基硝酸酯?
The molecular formula of 异戊基硝酸酯 is C5H11NO3.
What is the molecular weight of 异戊基硝酸酯?
The molecular weight of 异戊基硝酸酯 is 133.07 g/mol.
Where can I buy 异戊基硝酸酯?
You can request a quote for 异戊基硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异戊基硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 异戊基硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.