硝酸4-乙基己酯
TL;DR: 硝酸4-乙基己酯 (CAS 72245-28-4) is a chemical compound with molecular formula C8H17NO3 and molecular weight 175.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝酸4-乙基己酯
4-ethylhexyl nitrate
Also Known As: Branched octyl nitrate, C8-Alkanol, nitrate, 4-ethylhexyl nitrate, Nitric acid, octyl ester, branched, EINECS 276-524-0
| Molecular Formula | C8H17NO3 |
|---|---|
| Molecular Weight | 175.12 g/mol |
| LogP | 2.4111 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 175.12085 |
| Heavy Atoms | 12 |
| Complexity | 123.47138 |
Chemical Identifiers
| CAS Number | 72245-28-4 |
|---|---|
| SMILES | CCC(CC)CCCO[N+](=O)[O-] |
Product Overview
硝酸4-乙基己酯 (CAS 72245-28-4), with molecular formula C8H17NO3 and molecular weight 175.12 g/mol. IUPAC: 4-ethylhexyl nitrate.
Chemical Property Profile of 硝酸4-乙基己酯
Property Insights of 硝酸4-乙基己酯
The XLogP value of 2.4111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝酸4-乙基己酯. With a topological polar surface area (TPSA) of 52.37 Ų, 硝酸4-乙基己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硝酸4-乙基己酯 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4-乙基己酯?
The CAS number of 硝酸4-乙基己酯 is 72245-28-4.
What is the molecular formula of 硝酸4-乙基己酯?
The molecular formula of 硝酸4-乙基己酯 is C8H17NO3.
What is the molecular weight of 硝酸4-乙基己酯?
The molecular weight of 硝酸4-乙基己酯 is 175.12 g/mol.
Where can I buy 硝酸4-乙基己酯?
You can request a quote for 硝酸4-乙基己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝酸4-乙基己酯?
Yes, KEHONG BIO provides custom synthesis services for 硝酸4-乙基己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.