2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester
TL;DR: 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester (CAS 890090-91-2) 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.
[4-(6-methylheptyl)-2,6-dinitrophenyl] but-2-enoate
Also Known As: 4-(6-Methylheptyl)-2,6-dinitrophenyl but-2-enoate, [4-(6-methylheptyl)-2,6-dinitrophenyl] but-2-enoate, 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester, [4-(6-methylheptyl)-2,6-dinitro-phenyl] But-2-enoate
| Molecular Formula | C18H24N2O6 |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | 4.7434 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 364.16342 |
| Heavy Atoms | 26 |
| Complexity | 661.9169 |
Chemical Identifiers
| CAS Number | 890090-91-2 |
|---|---|
| SMILES | CC=CC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])CCCCCC(C)C)[N+](=O)[O-] |
Product Overview
2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester (CAS 890090-91-2), with molecular formula C18H24N2O6 and molecular weight 364.16 g/mol. IUPAC: [4-(6-methylheptyl)-2,6-dinitrophenyl] but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester
Property Insights of 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester
The XLogP value of 4.7434 indicates that 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester has 0 hydrogen bond donor(s) and 6 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 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester?
The CAS number of 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester is 890090-91-2.
What is the molecular formula of 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester?
The molecular formula of 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester is C18H24N2O6.
What is the molecular weight of 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester?
The molecular weight of 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester is 364.16 g/mol.
Where can I buy 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester?
You can request a quote for 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-(6-methylheptyl)-2,6-dinitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.