2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate
TL;DR: 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate (CAS 6119-92-2) is a chemical compound with molecular formula C18H24N2O6 and molecular weight 364.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitro-6-octan-2-ylphenyl) but-2-enoate
Also Known As: Meptyldinocap, DINOCAP, KARATHANE, (2,4-dinitro-6-octan-2-ylphenyl) but-2-enoate, 2,4-Dinitro-6-(2-octyl)-phenyl crotonate
| Molecular Formula | C18H24N2O6 |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 364.16342 |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 6119-92-2 |
|---|---|
| SMILES | CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC |
| InChIKey | NIOPZPCMRQGZCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate (CAS 6119-92-2), with molecular formula C18H24N2O6 and molecular weight 364.16 g/mol. IUPAC: (2,4-dinitro-6-octan-2-ylphenyl) but-2-enoate.
Chemical Property Profile of 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate
Property Insights of 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate
The XLogP value of 6.0 indicates that 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate. Following Lipinski's Rule of Five, 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate?
The CAS number of 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate is 6119-92-2.
What is the molecular formula of 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate?
The molecular formula of 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate is C18H24N2O6.
What is the molecular weight of 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate?
The molecular weight of 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate is 364.16 g/mol.
Where can I buy 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate?
You can request a quote for 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.