ethyl thanone
TL;DR: ethyl thanone (CAS 380351-85-9) is a chemical compound with molecular formula C15H21NO6 and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]piperidine-3-carboxylate
Also Known As: ethyl thanone, AF-399/40826368, ethyl 1-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}piperidine-3-carboxylate, ethyl 1-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]piperidine-3-carboxylate, ethyl 1-{[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl}piperidine-3-carb oxylate
| Molecular Formula | C15H21NO6 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 0.6128 |
| Topological Polar Surface Area | 100.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.1369 |
| Heavy Atoms | 22 |
| Complexity | 581.8857 |
Chemical Identifiers
| CAS Number | 380351-85-9 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)CC2=C(C(=O)C=C(O2)CO)O |
Product Overview
ethyl thanone (CAS 380351-85-9), with molecular formula C15H21NO6 and molecular weight 311.14 g/mol. IUPAC: ethyl 1-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]piperidine-3-carboxylate.
Chemical Property Profile of ethyl thanone
Property Insights of ethyl thanone
The XLogP value of 0.6128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl thanone. The TPSA of 100.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl thanone. Following Lipinski's Rule of Five, ethyl thanone has 2 hydrogen bond donor(s) and 7 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 thanone?
The CAS number of ethyl thanone is 380351-85-9.
What is the molecular formula of ethyl thanone?
The molecular formula of ethyl thanone is C15H21NO6.
What is the molecular weight of ethyl thanone?
The molecular weight of ethyl thanone is 311.14 g/mol.
Where can I buy ethyl thanone?
You can request a quote for ethyl thanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl thanone?
Yes, KEHONG BIO provides custom synthesis services for ethyl thanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.