Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate
TL;DR: Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate (CAS 87764-56-5) is a chemical compound with molecular formula C18H25NO4 and molecular weight 319.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl [3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl] carbonate
Also Known As: KETOBEMIDONEETHYLCARBONATE, ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate, Carbonic acid 3-(1-methyl-4-propanoylpiperidin-4-yl)phenylethyl ester, Ethyl [3-(1-methyl-4-propanoyl-4-piperidyl)phenyl] Carbonate
| Molecular Formula | C18H25NO4 |
|---|---|
| Molecular Weight | 319.18 g/mol |
| LogP | 3.1644 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.17834 |
| Heavy Atoms | 23 |
| Complexity | 561.89496 |
Chemical Identifiers
| CAS Number | 87764-56-5 |
|---|---|
| SMILES | CCC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)OC(=O)OCC |
Product Overview
Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate (CAS 87764-56-5), with molecular formula C18H25NO4 and molecular weight 319.18 g/mol. IUPAC: ethyl [3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl] carbonate.
Chemical Property Profile of Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate
Property Insights of Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate
The XLogP value of 3.1644 indicates that Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate has 0 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 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate?
The CAS number of Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate is 87764-56-5.
What is the molecular formula of Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate?
The molecular formula of Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate is C18H25NO4.
What is the molecular weight of Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate?
The molecular weight of Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate is 319.18 g/mol.
Where can I buy Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate?
You can request a quote for Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1-methyl-4-propanoylpiperidin-4-yl)phenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.