3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide
TL;DR: 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide (CAS 764593-29-5) is a chemical compound with molecular formula C17H24NO5- and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxycarbonyl-5,5-dimethyl-3-oxo-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexen-1-olate
Also Known As: 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide, 6-methoxycarbonyl-5,5-dimethyl-3-oxo-2-(N-prop-2-enoxy-C-propyl-carbonimidoyl)cyclohexen-1-olate, 6-methoxycarbonyl-5,5-dimethyl-3-oxo-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexen-1-olate
| Molecular Formula | C17H24NO5- |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 1.7477 |
| Topological Polar Surface Area | 88.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.16544 |
| Heavy Atoms | 23 |
| Complexity | 545.18695 |
Chemical Identifiers
| CAS Number | 764593-29-5 |
|---|---|
| SMILES | CCCC(=NOCC=C)C1=C(C(C(CC1=O)(C)C)C(=O)OC)[O-] |
Product Overview
3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide (CAS 764593-29-5), with molecular formula C17H24NO5- and molecular weight 322.17 g/mol. IUPAC: 6-methoxycarbonyl-5,5-dimethyl-3-oxo-2-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexen-1-olate.
Chemical Property Profile of 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide
Property Insights of 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide
The XLogP value of 1.7477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide. The TPSA of 88.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide. Following Lipinski's Rule of Five, 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide 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 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide?
The CAS number of 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide is 764593-29-5.
What is the molecular formula of 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide?
The molecular formula of 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide is C17H24NO5-.
What is the molecular weight of 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide?
The molecular weight of 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide is 322.17 g/mol.
Where can I buy 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide?
You can request a quote for 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-(N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.