硝酸己-2-酯
TL;DR: 硝酸己-2-酯 (CAS 21981-49-7) 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.
硝酸己-2-酯
hexan-2-yl nitrate
Also Known As: Hexan-2-yl Nitrate, 2-Hexyl nitrate, 2-nitrooxy-hexane, 2-Nitrooxyhexane, 2-Hexanol nitrate
| Molecular Formula | C6H13NO3 |
|---|---|
| Molecular Weight | 147.09 g/mol |
| LogP | 2.7 |
| 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 | 99.0 |
Chemical Identifiers
| CAS Number | 21981-49-7 |
|---|---|
| SMILES | CCCCC(C)O[N+](=O)[O-] |
| InChIKey | JLGBOJJVQLNMGV-UHFFFAOYSA-N |
Product Overview
硝酸己-2-酯 (CAS 21981-49-7), with molecular formula C6H13NO3 and molecular weight 147.09 g/mol. IUPAC: hexan-2-yl nitrate.
Chemical Property Profile of 硝酸己-2-酯
Property Insights of 硝酸己-2-酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝酸己-2-酯. With a topological polar surface area (TPSA) of 55.1 Ų, 硝酸己-2-酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸己-2-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 硝酸己-2-酯?
The CAS number of 硝酸己-2-酯 is 21981-49-7.
What is the molecular formula of 硝酸己-2-酯?
The molecular formula of 硝酸己-2-酯 is C6H13NO3.
What is the molecular weight of 硝酸己-2-酯?
The molecular weight of 硝酸己-2-酯 is 147.09 g/mol.
Where can I buy 硝酸己-2-酯?
You can request a quote for 硝酸己-2-酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸己-2-酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸己-2-酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.