2-Methyl-4-nitrohexan-3-yl acetate
TL;DR: 2-Methyl-4-nitrohexan-3-yl acetate (CAS 6302-38-1) is a chemical compound with molecular formula C9H17NO4 and molecular weight 203.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4-nitrohexan-3-yl) acetate
Also Known As: 2-methyl-4-nitrohexan-3-yl acetate, (2-methyl-4-nitrohexan-3-yl) acetate
| Molecular Formula | C9H17NO4 |
|---|---|
| Molecular Weight | 203.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 203.11575 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 6302-38-1 |
|---|---|
| SMILES | CCC(C(C(C)C)OC(=O)C)[N+](=O)[O-] |
| InChIKey | GNTZENDEEVYVID-UHFFFAOYSA-N |
Product Overview
2-Methyl-4-nitrohexan-3-yl acetate (CAS 6302-38-1), with molecular formula C9H17NO4 and molecular weight 203.12 g/mol. IUPAC: (2-methyl-4-nitrohexan-3-yl) acetate.
Chemical Property Profile of 2-Methyl-4-nitrohexan-3-yl acetate
Property Insights of 2-Methyl-4-nitrohexan-3-yl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-nitrohexan-3-yl acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-nitrohexan-3-yl acetate. Following Lipinski's Rule of Five, 2-Methyl-4-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-Methyl-4-nitrohexan-3-yl acetate?
The CAS number of 2-Methyl-4-nitrohexan-3-yl acetate is 6302-38-1.
What is the molecular formula of 2-Methyl-4-nitrohexan-3-yl acetate?
The molecular formula of 2-Methyl-4-nitrohexan-3-yl acetate is C9H17NO4.
What is the molecular weight of 2-Methyl-4-nitrohexan-3-yl acetate?
The molecular weight of 2-Methyl-4-nitrohexan-3-yl acetate is 203.12 g/mol.
Where can I buy 2-Methyl-4-nitrohexan-3-yl acetate?
You can request a quote for 2-Methyl-4-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-Methyl-4-nitrohexan-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-nitrohexan-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.