![Diethyl butyl[2-(dimethylamino)ethyl]propanedioate structure](/static/products/1114/1114-73-4.webp)
Diethyl butyl[2-(dimethylamino)ethyl]propanedioate
TL;DR: Diethyl butyl[2-(dimethylamino)ethyl]propanedioate (CAS 1114-73-4) is a chemical compound with molecular formula C15H29NO4 and molecular weight 287.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-butyl-2-[2-(dimethylamino)ethyl]propanedioate
Also Known As: NCIOpen2_005006, diethyl butyl[2-(dimethylamino)ethyl]propanedioate, diethyl 2-butyl-2-[2-(dimethylamino)ethyl]propanedioate, diethyl 2-butyl-2-(2-dimethylaminoethyl)propanedioate, 1-Dimethylamino-heptan-dicarbonsaeure-(3.3)-diaethylester
| Molecular Formula | C15H29NO4 |
|---|---|
| Molecular Weight | 287.21 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 287.20966 |
| Heavy Atoms | 20 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 1114-73-4 |
|---|---|
| SMILES | CCCCC(CCN(C)C)(C(=O)OCC)C(=O)OCC |
| InChIKey | AULBFGCILFKTCU-UHFFFAOYSA-N |
Product Overview
Diethyl butyl[2-(dimethylamino)ethyl]propanedioate (CAS 1114-73-4), with molecular formula C15H29NO4 and molecular weight 287.21 g/mol. IUPAC: diethyl 2-butyl-2-[2-(dimethylamino)ethyl]propanedioate.
Chemical Property Profile of Diethyl butyl[2-(dimethylamino)ethyl]propanedioate
Property Insights of Diethyl butyl[2-(dimethylamino)ethyl]propanedioate
The XLogP value of 3.1 indicates that Diethyl butyl[2-(dimethylamino)ethyl]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl butyl[2-(dimethylamino)ethyl]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl butyl[2-(dimethylamino)ethyl]propanedioate 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 Diethyl butyl[2-(dimethylamino)ethyl]propanedioate?
The CAS number of Diethyl butyl[2-(dimethylamino)ethyl]propanedioate is 1114-73-4.
What is the molecular formula of Diethyl butyl[2-(dimethylamino)ethyl]propanedioate?
The molecular formula of Diethyl butyl[2-(dimethylamino)ethyl]propanedioate is C15H29NO4.
What is the molecular weight of Diethyl butyl[2-(dimethylamino)ethyl]propanedioate?
The molecular weight of Diethyl butyl[2-(dimethylamino)ethyl]propanedioate is 287.21 g/mol.
Where can I buy Diethyl butyl[2-(dimethylamino)ethyl]propanedioate?
You can request a quote for Diethyl butyl[2-(dimethylamino)ethyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl butyl[2-(dimethylamino)ethyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl butyl[2-(dimethylamino)ethyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.