Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester
TL;DR: Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester (CAS 94916-96-8) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-(2-cyanoethoxy)-2,2-diphenylacetate
Also Known As: (2-Cyanoethoxy)diphenylacetic acid 2-(dimethylamino)ethyl ester, ACETIC ACID, (2-CYANOETHOXY)DIPHENYL-, 2-(DIMETHYLAMINO)ETHYL ESTER, 2-dimethylaminoethyl 2-(2-cyanoethoxy)-2,2-di(phenyl)acetate, 2-(Dimethylamino)ethyl (2-cyanoethoxy)di(phenyl)acetate, 2-dimethylaminoethyl 2-(2-cyanoethoxy)-2,2-diphenylacetate
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 94916-96-8 |
|---|---|
| SMILES | CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCCC#N |
| InChIKey | CMLBQOVLDTVUPX-UHFFFAOYSA-N |
Product Overview
Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester (CAS 94916-96-8), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-(2-cyanoethoxy)-2,2-diphenylacetate.
Chemical Property Profile of Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester
Property Insights of Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester. Following Lipinski's Rule of Five, Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester 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 Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester?
The CAS number of Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester is 94916-96-8.
What is the molecular formula of Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester?
The molecular formula of Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester is C21H24N2O3.
What is the molecular weight of Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester?
The molecular weight of Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester is 352.18 g/mol.
Where can I buy Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester?
You can request a quote for Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (2-cyanoethoxy)diphenyl-, 2-(dimethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.