Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate
TL;DR: Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate (CAS 110998-13-5) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate
Also Known As: 2-Propenoic acid,3-(2,2,6,6-tetramethyl-4-oxo-1-piperidinyl)-, methyl ester, (E)- (9CI), (E)-3-(2,2,6,6-Tetramethyl-4-oxo-1-piperidinyl)-2-propenoic acid methyl ester, 2-Propenoic acid, 3-(2,2,6,6-tetramethyl-4-oxo-1-piperidinyl)-, methyl ester, (E)-, trans-N-beta-(2,2,6,6-Tetramethyl-4-oxo-1-piperidyl)acrylic acid methyl ester
| Molecular Formula | C13H21NO3 |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 1.8952 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.15215 |
| Heavy Atoms | 17 |
| Complexity | 335.6761 |
Chemical Identifiers
| CAS Number | 110998-13-5 |
|---|---|
| SMILES | CC1(CC(=O)CC(N1C=CC(=O)OC)(C)C)C |
Product Overview
Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate (CAS 110998-13-5), with molecular formula C13H21NO3 and molecular weight 239.15 g/mol. IUPAC: methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate.
Chemical Property Profile of Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate
Property Insights of Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate
The XLogP value of 1.8952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 46.61 Ų, Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate 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 Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate?
The CAS number of Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate is 110998-13-5.
What is the molecular formula of Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate?
The molecular formula of Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate is C13H21NO3.
What is the molecular weight of Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate?
The molecular weight of Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate is 239.15 g/mol.
Where can I buy Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate?
You can request a quote for Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.