1-Nitrodecane
TL;DR: 1-Nitrodecane (CAS 5435-74-5) is a chemical compound with molecular formula C10H21NO2 and molecular weight 187.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrodecane
Also Known As: 1-nitrodecane, nitrodecane, 1-nitro-decane, 1-Nitro decane, Decane, nitro-
| Molecular Formula | C10H21NO2 |
|---|---|
| Molecular Weight | 187.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 187.15723 |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 5435-74-5 |
|---|---|
| SMILES | CCCCCCCCCC[N+](=O)[O-] |
| InChIKey | GOLOHAZKJYGKKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitrodecane (CAS 5435-74-5), with molecular formula C10H21NO2 and molecular weight 187.16 g/mol. IUPAC: 1-nitrodecane.
Chemical Property Profile of 1-Nitrodecane
Property Insights of 1-Nitrodecane
The XLogP value of 4.9 indicates that 1-Nitrodecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitrodecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitrodecane 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 1-Nitrodecane?
The CAS number of 1-Nitrodecane is 5435-74-5.
What is the molecular formula of 1-Nitrodecane?
The molecular formula of 1-Nitrodecane is C10H21NO2.
What is the molecular weight of 1-Nitrodecane?
The molecular weight of 1-Nitrodecane is 187.16 g/mol.
Where can I buy 1-Nitrodecane?
You can request a quote for 1-Nitrodecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitrodecane?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitrodecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.