1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate
TL;DR: 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate (CAS 13080-06-3) is a chemical compound with molecular formula C17H33NO4 and molecular weight 315.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-[2-(diethylamino)ethyl] 3-O-ethyl 2-butyl-2-ethylpropanedioate
Also Known As: 2-Naphthyl propionate, Sch 5712, Butylethylmalonic acid 2-(diethylamino)ethyl ethyl ester, 4-04-00-01482 (Beilstein Handbook Reference), Butylaethylmalonsaeure-aethyl-diaethylaminoaethyl-di-ester
| Molecular Formula | C17H33NO4 |
|---|---|
| Molecular Weight | 315.24 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 315.24097 |
| Heavy Atoms | 22 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 13080-06-3 |
|---|---|
| SMILES | CCCCC(CC)(C(=O)OCC)C(=O)OCCN(CC)CC |
| InChIKey | CQXNKORKKPMCPE-UHFFFAOYSA-N |
Product Overview
1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate (CAS 13080-06-3), with molecular formula C17H33NO4 and molecular weight 315.24 g/mol. IUPAC: 1-O-[2-(diethylamino)ethyl] 3-O-ethyl 2-butyl-2-ethylpropanedioate.
Chemical Property Profile of 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate
Property Insights of 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate
The XLogP value of 4.0 indicates that 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate 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 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate?
The CAS number of 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate is 13080-06-3.
What is the molecular formula of 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate?
The molecular formula of 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate is C17H33NO4.
What is the molecular weight of 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate?
The molecular weight of 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate is 315.24 g/mol.
Where can I buy 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate?
You can request a quote for 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Diethylamino)ethyl) 3-ethyl 2-butyl-2-ethylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.