2-(Diethylamino)ethyl 2-benzylidenebutanoate
TL;DR: 2-(Diethylamino)ethyl 2-benzylidenebutanoate (CAS 77945-07-4) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-benzylidenebutanoate
Also Known As: 2-(diethylamino)ethyl (2E)-2-benzylidenebutanoate
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 77945-07-4 |
|---|---|
| SMILES | CCC(=CC1=CC=CC=C1)C(=O)OCCN(CC)CC |
| InChIKey | CFLKJKKPWXMTLX-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 2-benzylidenebutanoate (CAS 77945-07-4), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 2-(diethylamino)ethyl 2-benzylidenebutanoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 2-benzylidenebutanoate
Property Insights of 2-(Diethylamino)ethyl 2-benzylidenebutanoate
The XLogP value of 3.8 indicates that 2-(Diethylamino)ethyl 2-benzylidenebutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(Diethylamino)ethyl 2-benzylidenebutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 2-benzylidenebutanoate has 0 hydrogen bond donor(s) and 3 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 2-benzylidenebutanoate?
The CAS number of 2-(Diethylamino)ethyl 2-benzylidenebutanoate is 77945-07-4.
What is the molecular formula of 2-(Diethylamino)ethyl 2-benzylidenebutanoate?
The molecular formula of 2-(Diethylamino)ethyl 2-benzylidenebutanoate is C17H25NO2.
What is the molecular weight of 2-(Diethylamino)ethyl 2-benzylidenebutanoate?
The molecular weight of 2-(Diethylamino)ethyl 2-benzylidenebutanoate is 275.19 g/mol.
Where can I buy 2-(Diethylamino)ethyl 2-benzylidenebutanoate?
You can request a quote for 2-(Diethylamino)ethyl 2-benzylidenebutanoate 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 2-benzylidenebutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 2-benzylidenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.