2-Nitrohexan-3-yl acetate
TL;DR: 2-Nitrohexan-3-yl acetate (CAS 142-86-9) is a chemical compound with molecular formula C8H15NO4 and molecular weight 189.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrohexan-3-yl acetate
Also Known As: 2-nitrohexan-3-yl acetate, 3-Hexanol, acetate, 2-Nitro-3-acetoxyhexane, 3-Hexanol, 2-nitro-, acetate, J2.336.449B
| Molecular Formula | C8H15NO4 |
|---|---|
| Molecular Weight | 189.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.10011 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 142-86-9 |
|---|---|
| SMILES | CCCC(C(C)[N+](=O)[O-])OC(=O)C |
| InChIKey | WUXHCJGHZGCLSZ-UHFFFAOYSA-N |
Product Overview
2-Nitrohexan-3-yl acetate (CAS 142-86-9), with molecular formula C8H15NO4 and molecular weight 189.10 g/mol. IUPAC: 2-nitrohexan-3-yl acetate.
Chemical Property Profile of 2-Nitrohexan-3-yl acetate
Property Insights of 2-Nitrohexan-3-yl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrohexan-3-yl acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrohexan-3-yl acetate. Following Lipinski's Rule of Five, 2-Nitrohexan-3-yl acetate has 0 hydrogen bond donor(s) and 4 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 2-Nitrohexan-3-yl acetate?
The CAS number of 2-Nitrohexan-3-yl acetate is 142-86-9.
What is the molecular formula of 2-Nitrohexan-3-yl acetate?
The molecular formula of 2-Nitrohexan-3-yl acetate is C8H15NO4.
What is the molecular weight of 2-Nitrohexan-3-yl acetate?
The molecular weight of 2-Nitrohexan-3-yl acetate is 189.10 g/mol.
Where can I buy 2-Nitrohexan-3-yl acetate?
You can request a quote for 2-Nitrohexan-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrohexan-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrohexan-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.