![Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- structure](/static/products/2504/25047-90-9.webp)
Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-
TL;DR: Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- (CAS 25047-90-9) is a chemical compound with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)anilino]ethyl benzoate
Also Known As: n-Cyanoethyl-n-benzoxyethyl aniline, 3-((2-(Benzoyloxy)ethyl)phenylamino)propiononitrile, 2-[(2-cyanoethyl)(phenyl)amino]ethyl benzoate, 2-[N-(2-cyanoethyl)anilino]ethyl benzoate, Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-
| Molecular Formula | C18H18N2O2 |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 294.13684 |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 25047-90-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCN(CCC#N)C2=CC=CC=C2 |
| InChIKey | UJTRMFNKHYGXDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- (CAS 25047-90-9), with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol. IUPAC: 2-[N-(2-cyanoethyl)anilino]ethyl benzoate.
Chemical Property Profile of Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-
Property Insights of Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-
The XLogP value of 3.3 indicates that Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- has 0 hydrogen bond donor(s) and 4 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 Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-?
The CAS number of Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- is 25047-90-9.
What is the molecular formula of Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-?
The molecular formula of Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- is C18H18N2O2.
What is the molecular weight of Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-?
The molecular weight of Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- is 294.14 g/mol.
Where can I buy Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-?
You can request a quote for Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.