1-Butanol, 2-ethyl-, nitrate
TL;DR: 1-Butanol, 2-ethyl-, nitrate (CAS 74398-55-3) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbutyl nitrate
Also Known As: 2-ethylbutyl nitrate, 1-Butanol, 2-ethyl-, nitrate
| Molecular Formula | C6H13NO3 |
|---|---|
| Molecular Weight | 147.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 147.08954 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 74398-55-3 |
|---|---|
| SMILES | CCC(CC)CO[N+](=O)[O-] |
| InChIKey | KLSTYOFWPIMPSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanol, 2-ethyl-, nitrate (CAS 74398-55-3), with molecular formula C6H13NO3 and molecular weight 147.09 g/mol. IUPAC: 2-ethylbutyl nitrate.
Chemical Property Profile of 1-Butanol, 2-ethyl-, nitrate
Property Insights of 1-Butanol, 2-ethyl-, nitrate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanol, 2-ethyl-, nitrate. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Butanol, 2-ethyl-, nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanol, 2-ethyl-, nitrate 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 1-Butanol, 2-ethyl-, nitrate?
The CAS number of 1-Butanol, 2-ethyl-, nitrate is 74398-55-3.
What is the molecular formula of 1-Butanol, 2-ethyl-, nitrate?
The molecular formula of 1-Butanol, 2-ethyl-, nitrate is C6H13NO3.
What is the molecular weight of 1-Butanol, 2-ethyl-, nitrate?
The molecular weight of 1-Butanol, 2-ethyl-, nitrate is 147.09 g/mol.
Where can I buy 1-Butanol, 2-ethyl-, nitrate?
You can request a quote for 1-Butanol, 2-ethyl-, nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 2-ethyl-, nitrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 2-ethyl-, nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.