Octane, 1-nitro-
TL;DR: Octane, 1-nitro- (CAS 629-37-8) is a chemical compound with molecular formula CCCCCCCC[N+](=O)[O-] and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrooctane
Also Known As: 1-nitrooctane, Octane, 1-nitro-, 1-Nitro octane, 1-Nitro-octane, 659-737-7
| Molecular Formula | CCCCCCCC[N+](=O)[O-] |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 629-37-8 |
|---|---|
| SMILES | CCCCCCCC[N+](=O)[O-] |
| InChIKey | KLGHUFNKRIWCDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octane, 1-nitro- (CAS 629-37-8), with molecular formula CCCCCCCC[N+](=O)[O-] and molecular weight 159.13 g/mol. IUPAC: 1-nitrooctane.
Chemical Property Profile of Octane, 1-nitro-
Property Insights of Octane, 1-nitro-
The XLogP value of 3.8 indicates that Octane, 1-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Octane, 1-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octane, 1-nitro- 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 Octane, 1-nitro-?
The CAS number of Octane, 1-nitro- is 629-37-8.
What is the molecular formula of Octane, 1-nitro-?
The molecular formula of Octane, 1-nitro- is CCCCCCCC[N+](=O)[O-].
What is the molecular weight of Octane, 1-nitro-?
The molecular weight of Octane, 1-nitro- is 159.13 g/mol.
Where can I buy Octane, 1-nitro-?
You can request a quote for Octane, 1-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octane, 1-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Octane, 1-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.