1-Nitrohexadecan-2-one
TL;DR: 1-Nitrohexadecan-2-one (CAS 1331-83-5) is a chemical compound with molecular formula C16H31NO3 and molecular weight 285.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrohexadecan-2-one
Also Known As: 1-nitrohexadecan-2-one, 2-Hexadecanone,1-nitro-, 1-nitro-hexadecan-2-one
| Molecular Formula | C16H31NO3 |
|---|---|
| Molecular Weight | 285.23 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 285.2304 |
| Heavy Atoms | 20 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 1331-83-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(=O)C[N+](=O)[O-] |
| InChIKey | DGJBGXADLQALTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitrohexadecan-2-one (CAS 1331-83-5), with molecular formula C16H31NO3 and molecular weight 285.23 g/mol. IUPAC: 1-nitrohexadecan-2-one.
Chemical Property Profile of 1-Nitrohexadecan-2-one
Property Insights of 1-Nitrohexadecan-2-one
The XLogP value of 6.7 indicates that 1-Nitrohexadecan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitrohexadecan-2-one. Following Lipinski's Rule of Five, 1-Nitrohexadecan-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Nitrohexadecan-2-one?
The CAS number of 1-Nitrohexadecan-2-one is 1331-83-5.
What is the molecular formula of 1-Nitrohexadecan-2-one?
The molecular formula of 1-Nitrohexadecan-2-one is C16H31NO3.
What is the molecular weight of 1-Nitrohexadecan-2-one?
The molecular weight of 1-Nitrohexadecan-2-one is 285.23 g/mol.
Where can I buy 1-Nitrohexadecan-2-one?
You can request a quote for 1-Nitrohexadecan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitrohexadecan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitrohexadecan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.