(E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
TL;DR: (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate (CAS 300394-49-4) is a chemical compound with molecular formula C31H53NO5 and molecular weight 519.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(E)-C-heptadecyl-N-prop-2-enoxycarbonimidoyl]-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate
Also Known As: (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate, methyl 2,2-dimethyl-4,6-dioxo-5-[(1E)-N-(prop-2-en-1-yloxy)octadecanimidoyl]cyclohexanecarboxylate, methyl 5-[(E)-C-heptadecyl-N-prop-2-enoxycarbonimidoyl]-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate
| Molecular Formula | C31H53NO5 |
|---|---|
| Molecular Weight | 519.39 g/mol |
| LogP | 7.78 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 519.3924 |
| Heavy Atoms | 37 |
| Complexity | 727.11 |
Chemical Identifiers
| CAS Number | 300394-49-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC/C(=N\OCC=C)/C1C(=O)CC(C(C1=O)C(=O)OC)(C)C |
Product Overview
(E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate (CAS 300394-49-4), with molecular formula C31H53NO5 and molecular weight 519.39 g/mol. IUPAC: methyl 5-[(E)-C-heptadecyl-N-prop-2-enoxycarbonimidoyl]-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate.
Chemical Property Profile of (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Property Insights of (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
The XLogP value of 7.78 indicates that (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate. Following Lipinski's Rule of Five, (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate 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 (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
The CAS number of (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate is 300394-49-4.
What is the molecular formula of (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
The molecular formula of (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate is C31H53NO5.
What is the molecular weight of (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
The molecular weight of (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate is 519.39 g/mol.
Where can I buy (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
You can request a quote for (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 5-(1-((allyloxy)imino)octadecyl)-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.