Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate
TL;DR: Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate (CAS 127137-03-5) is a chemical compound with molecular formula C21H27NO2 and molecular weight 325.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate
Also Known As: ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate, ethyl3-(dibenzylamino)-2,2-dimethylpropanoate, Ethyl 3-(dibenzylamino)-2,2-dimethyl-propanoate, 3-Dibenzylamino-2,2-dimethyl-propionic acid ethyl ester
| Molecular Formula | C21H27NO2 |
|---|---|
| Molecular Weight | 325.20 g/mol |
| LogP | 4.2781 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.2042 |
| Heavy Atoms | 24 |
| Complexity | 581.3017 |
Chemical Identifiers
| CAS Number | 127137-03-5 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)CN(CC1=CC=CC=C1)CC2=CC=CC=C2 |
Product Overview
Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate (CAS 127137-03-5), with molecular formula C21H27NO2 and molecular weight 325.20 g/mol. IUPAC: ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate.
Chemical Property Profile of Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate
Property Insights of Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate
The XLogP value of 4.2781 indicates that Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate 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 Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate?
The CAS number of Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate is 127137-03-5.
What is the molecular formula of Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate?
The molecular formula of Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate is C21H27NO2.
What is the molecular weight of Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate?
The molecular weight of Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate is 325.20 g/mol.
Where can I buy Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate?
You can request a quote for Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(dibenzylamino)-2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.