2-(Diethylamino)ethyl 2-benzylideneheptanoate
TL;DR: 2-(Diethylamino)ethyl 2-benzylideneheptanoate (CAS 77945-08-5) is a chemical compound with molecular formula C20H31NO2 and molecular weight 317.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-benzylideneheptanoate
Also Known As: 2-(diethylamino)ethyl (2E)-2-benzylideneheptanoate
| Molecular Formula | C20H31NO2 |
|---|---|
| Molecular Weight | 317.24 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 317.23547 |
| Heavy Atoms | 23 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 77945-08-5 |
|---|---|
| SMILES | CCCCCC(=CC1=CC=CC=C1)C(=O)OCCN(CC)CC |
| InChIKey | GIEYSQGTCUJARL-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 2-benzylideneheptanoate (CAS 77945-08-5), with molecular formula C20H31NO2 and molecular weight 317.24 g/mol. IUPAC: 2-(diethylamino)ethyl 2-benzylideneheptanoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 2-benzylideneheptanoate
Property Insights of 2-(Diethylamino)ethyl 2-benzylideneheptanoate
The XLogP value of 5.4 indicates that 2-(Diethylamino)ethyl 2-benzylideneheptanoate 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-benzylideneheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 2-benzylideneheptanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Diethylamino)ethyl 2-benzylideneheptanoate?
The CAS number of 2-(Diethylamino)ethyl 2-benzylideneheptanoate is 77945-08-5.
What is the molecular formula of 2-(Diethylamino)ethyl 2-benzylideneheptanoate?
The molecular formula of 2-(Diethylamino)ethyl 2-benzylideneheptanoate is C20H31NO2.
What is the molecular weight of 2-(Diethylamino)ethyl 2-benzylideneheptanoate?
The molecular weight of 2-(Diethylamino)ethyl 2-benzylideneheptanoate is 317.24 g/mol.
Where can I buy 2-(Diethylamino)ethyl 2-benzylideneheptanoate?
You can request a quote for 2-(Diethylamino)ethyl 2-benzylideneheptanoate 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-benzylideneheptanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 2-benzylideneheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.