2-(Diethylamino)ethyl 3-oxobutanoate
TL;DR: 2-(Diethylamino)ethyl 3-oxobutanoate (CAS 62595-86-2) is a chemical compound with molecular formula C10H19NO3 and molecular weight 201.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 3-oxobutanoate
Also Known As: 2-(diethylamino)ethyl 3-oxobutanoate, 2-diethylaminoethyl 3-oxobutanoate, Butanoicc acid, 3-oxo-, 2-(diethylamino)ethyl ester, Butanoic acid, 3-oxo-, 2-(diethylamino)ethyl ester, RefChem:84669
| Molecular Formula | C10H19NO3 |
|---|---|
| Molecular Weight | 201.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 201.13649 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 62595-86-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)CC(=O)C |
| InChIKey | HTCJTOQZUYPRML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Diethylamino)ethyl 3-oxobutanoate (CAS 62595-86-2), with molecular formula C10H19NO3 and molecular weight 201.14 g/mol. IUPAC: 2-(diethylamino)ethyl 3-oxobutanoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 3-oxobutanoate
Property Insights of 2-(Diethylamino)ethyl 3-oxobutanoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diethylamino)ethyl 3-oxobutanoate. With a topological polar surface area (TPSA) of 46.6 Ų, 2-(Diethylamino)ethyl 3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 3-oxobutanoate 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-(Diethylamino)ethyl 3-oxobutanoate?
The CAS number of 2-(Diethylamino)ethyl 3-oxobutanoate is 62595-86-2.
What is the molecular formula of 2-(Diethylamino)ethyl 3-oxobutanoate?
The molecular formula of 2-(Diethylamino)ethyl 3-oxobutanoate is C10H19NO3.
What is the molecular weight of 2-(Diethylamino)ethyl 3-oxobutanoate?
The molecular weight of 2-(Diethylamino)ethyl 3-oxobutanoate is 201.14 g/mol.
Where can I buy 2-(Diethylamino)ethyl 3-oxobutanoate?
You can request a quote for 2-(Diethylamino)ethyl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.