(E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione
TL;DR: (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione (CAS 368433-58-3) is a chemical compound with molecular formula C15H23NO3 and molecular weight 265.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-(diethylamino)prop-2-enoyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-(3-diethylaminoprop-2-enoyl)-5,5-dimethyl-cyclohexane-1,3-dione, (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione, 2-[(E)-3-(diethylamino)prop-2-enoyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C15H23NO3 |
|---|---|
| Molecular Weight | 265.17 g/mol |
| LogP | 1.9854 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.1678 |
| Heavy Atoms | 19 |
| Complexity | 385.61374 |
Chemical Identifiers
| CAS Number | 368433-58-3 |
|---|---|
| SMILES | CCN(CC)/C=C/C(=O)C1C(=O)CC(CC1=O)(C)C |
Product Overview
(E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione (CAS 368433-58-3), with molecular formula C15H23NO3 and molecular weight 265.17 g/mol. IUPAC: 2-[(E)-3-(diethylamino)prop-2-enoyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione
Property Insights of (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 1.9854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 54.45 Ų, (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione has 0 hydrogen bond donor(s) and 4 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 (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione is 368433-58-3.
What is the molecular formula of (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione is C15H23NO3.
What is the molecular weight of (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione is 265.17 g/mol.
Where can I buy (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-(diethylamino)acryloyl)-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.