10-Nitro-octadeca-9,12-dienoic acid
TL;DR: 10-Nitro-octadeca-9,12-dienoic acid (CAS 774603-04-2) is a chemical compound with molecular formula C18H31NO4 and molecular weight 325.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-nitrooctadeca-9,12-dienoic acid
Also Known As: 10-Nitrolinoleic acid, 10-nitro-octadeca-9,12-dienoic acid, 9,12-Octadecadienoicacid, 10-nitro-, (9E,12Z)-
| Molecular Formula | C18H31NO4 |
|---|---|
| Molecular Weight | 325.23 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 325.2253 |
| Heavy Atoms | 23 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 774603-04-2 |
|---|---|
| SMILES | CCCCCC=CCC(=CCCCCCCCC(=O)O)[N+](=O)[O-] |
| InChIKey | LELVHAQTWXTCLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10-Nitro-octadeca-9,12-dienoic acid (CAS 774603-04-2), with molecular formula C18H31NO4 and molecular weight 325.23 g/mol. IUPAC: 10-nitrooctadeca-9,12-dienoic acid.
Chemical Property Profile of 10-Nitro-octadeca-9,12-dienoic acid
Property Insights of 10-Nitro-octadeca-9,12-dienoic acid
The XLogP value of 6.2 indicates that 10-Nitro-octadeca-9,12-dienoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-Nitro-octadeca-9,12-dienoic acid. Following Lipinski's Rule of Five, 10-Nitro-octadeca-9,12-dienoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-Nitro-octadeca-9,12-dienoic acid?
The CAS number of 10-Nitro-octadeca-9,12-dienoic acid is 774603-04-2.
What is the molecular formula of 10-Nitro-octadeca-9,12-dienoic acid?
The molecular formula of 10-Nitro-octadeca-9,12-dienoic acid is C18H31NO4.
What is the molecular weight of 10-Nitro-octadeca-9,12-dienoic acid?
The molecular weight of 10-Nitro-octadeca-9,12-dienoic acid is 325.23 g/mol.
Where can I buy 10-Nitro-octadeca-9,12-dienoic acid?
You can request a quote for 10-Nitro-octadeca-9,12-dienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Nitro-octadeca-9,12-dienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 10-Nitro-octadeca-9,12-dienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.