2-Nitroheptane
TL;DR: 2-Nitroheptane (CAS 667-66-3) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitroheptane
Also Known As: 2-Nitroheptane, 2-Nitroheptan, Heptane, 2-nitro-, 4-Acetamidocyclohexanol, RefChem:88724
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 667-66-3 |
|---|---|
| SMILES | CCCCCC(C)[N+](=O)[O-] |
| InChIKey | PCEIWKGDADMFJS-UHFFFAOYSA-N |
Product Overview
2-Nitroheptane (CAS 667-66-3), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: 2-nitroheptane.
Chemical Property Profile of 2-Nitroheptane
Property Insights of 2-Nitroheptane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitroheptane. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Nitroheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitroheptane has 0 hydrogen bond donor(s) and 2 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-Nitroheptane?
The CAS number of 2-Nitroheptane is 667-66-3.
What is the molecular formula of 2-Nitroheptane?
The molecular formula of 2-Nitroheptane is C7H15NO2.
What is the molecular weight of 2-Nitroheptane?
The molecular weight of 2-Nitroheptane is 145.11 g/mol.
Where can I buy 2-Nitroheptane?
You can request a quote for 2-Nitroheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitroheptane?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitroheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.