2,2,4-Trimethyl-4-nitropentane
TL;DR: 2,2,4-Trimethyl-4-nitropentane (CAS 59233-39-5) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethyl-4-nitropentane
Also Known As: 2,2,4-Trimethyl-4-nitropentane, 2-Nitro-2,4,4-trimethylpentane, Pentane, 2,2,4-trimethyl-4-nitro-, 4-Nitro-2,2,4-trimethylpentane, 2-Nitro-2,4-trimethylpentane
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 59233-39-5 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)[N+](=O)[O-] |
| InChIKey | CUEFTLGHWYSCTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4-Trimethyl-4-nitropentane (CAS 59233-39-5), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: 2,2,4-trimethyl-4-nitropentane.
Chemical Property Profile of 2,2,4-Trimethyl-4-nitropentane
Property Insights of 2,2,4-Trimethyl-4-nitropentane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-Trimethyl-4-nitropentane. With a topological polar surface area (TPSA) of 45.8 Ų, 2,2,4-Trimethyl-4-nitropentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-4-nitropentane 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 2,2,4-Trimethyl-4-nitropentane?
The CAS number of 2,2,4-Trimethyl-4-nitropentane is 59233-39-5.
What is the molecular formula of 2,2,4-Trimethyl-4-nitropentane?
The molecular formula of 2,2,4-Trimethyl-4-nitropentane is C8H17NO2.
What is the molecular weight of 2,2,4-Trimethyl-4-nitropentane?
The molecular weight of 2,2,4-Trimethyl-4-nitropentane is 159.13 g/mol.
Where can I buy 2,2,4-Trimethyl-4-nitropentane?
You can request a quote for 2,2,4-Trimethyl-4-nitropentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethyl-4-nitropentane?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-4-nitropentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.