9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-
TL;DR: 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)- (CAS 774603-05-3) 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.
12-nitrooctadeca-9,12-dienoic acid
Also Known As: 10-Nitrolinoleate, 12-nitro-octadeca-9,12-dienoic acid, 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-, 12-NITROOCTADECA-9,12-DIENOIC ACID, RefChem:312635
| 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 | 774603-05-3 |
|---|---|
| SMILES | CCCCCC=C(CC=CCCCCCCCC(=O)O)[N+](=O)[O-] |
| InChIKey | ZYFTUIURWQWFKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)- (CAS 774603-05-3), with molecular formula C18H31NO4 and molecular weight 325.23 g/mol. IUPAC: 12-nitrooctadeca-9,12-dienoic acid.
Chemical Property Profile of 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-
Property Insights of 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-
The XLogP value of 6.2 indicates that 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)- 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 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-. Following Lipinski's Rule of Five, 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)- 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 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-?
The CAS number of 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)- is 774603-05-3.
What is the molecular formula of 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-?
The molecular formula of 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)- is C18H31NO4.
What is the molecular weight of 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-?
The molecular weight of 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)- is 325.23 g/mol.
Where can I buy 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-?
You can request a quote for 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)-?
Yes, KEHONG BIO provides custom synthesis services for 9,12-Octadecadienoic acid, 12-nitro-, (9Z,12E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.