![2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate structure](/static/products/347/347399-85-3.png)
2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate
TL;DR: 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate (CAS 347399-85-3) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5-dimethyl-1-[(E)-3-oxoprop-1-enyl]piperidin-4-yl] benzoate
Also Known As: [2,5-dimethyl-1-[(E)-3-oxoprop-1-enyl]piperidin-4-yl] benzoate|2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate|(2S,4R,5R)-2,5-dimethyl-1-((E)-3-oxoprop-1-en-1-yl)piperidin-4-yl benzoate|MLS001164061|SMR000539406
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 2.6549 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 512.0263 |
Chemical Identifiers
| CAS Number | 347399-85-3 |
|---|---|
| SMILES | CC1CC(C(CN1/C=C/C=O)C)OC(=O)C2=CC=CC=C2 |
Product Overview
2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate (CAS 347399-85-3), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: [2,5-dimethyl-1-[(E)-3-oxoprop-1-enyl]piperidin-4-yl] benzoate.
Chemical Property Profile of 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate
Property Insights of 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate
The XLogP value of 2.6549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate. With a topological polar surface area (TPSA) of 46.61 Ų, 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate 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 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate?
The CAS number of 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate is 347399-85-3.
What is the molecular formula of 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate?
The molecular formula of 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate is C17H21NO3.
What is the molecular weight of 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate?
The molecular weight of 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate is 287.15 g/mol.
Where can I buy 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate?
You can request a quote for 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dimethyl-1-[(1E)-3-oxoprop-1-en-1-yl]piperidin-4-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.