ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino
TL;DR: ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino (CAS 58137-28-3) is a chemical compound with molecular formula C19H24N2O4 and molecular weight 344.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]carbamate
Also Known As: ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino, Ethyl 2-[5,5-dimethyl-3-oxo-2-(2-oxo-2-phenylethyl)cyclohex-1-en-1-yl]hydrazine-1-carboxylate, ethyl N-[(5,5-dimethyl-3-oxo-2-phenacyl-1-cyclohexenyl)amino]carbamate, ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]carbamate
| Molecular Formula | C19H24N2O4 |
|---|---|
| Molecular Weight | 344.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.1736 |
| Heavy Atoms | 25 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 58137-28-3 |
|---|---|
| SMILES | CCOC(=O)NNC1=C(C(=O)CC(C1)(C)C)CC(=O)C2=CC=CC=C2 |
| InChIKey | QOXCFOHZIFAWGR-UHFFFAOYSA-N |
Product Overview
ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino (CAS 58137-28-3), with molecular formula C19H24N2O4 and molecular weight 344.17 g/mol. IUPAC: ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]carbamate.
Chemical Property Profile of ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino
Property Insights of ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino
The XLogP value of 3.0 indicates that ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino. Following Lipinski's Rule of Five, ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino has 2 hydrogen bond donor(s) and 5 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 ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino?
The CAS number of ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino is 58137-28-3.
What is the molecular formula of ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino?
The molecular formula of ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino is C19H24N2O4.
What is the molecular weight of ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino?
The molecular weight of ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino is 344.17 g/mol.
Where can I buy ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino?
You can request a quote for ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.