![Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]- structure](/static/products/6844/68444-10-0.webp)
Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]-
TL;DR: Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]- (CAS 68444-10-0) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)anilino]ethyl propanoate
Also Known As: 2-(N-(2-Cyanoethyl)anilino)ethyl propionate, Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]-, Propanenitrile, 3-((2-(propionyloxy)ethyl)phenylamino)-, 2-[(2-cyanoethyl)(phenyl)amino]ethyl propanoate, 2-[N-(2-cyanoethyl)anilino]ethyl propanoate
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 68444-10-0 |
|---|---|
| SMILES | CCC(=O)OCCN(CCC#N)C1=CC=CC=C1 |
| InChIKey | PDBRFOXCYVZTAU-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]- (CAS 68444-10-0), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: 2-[N-(2-cyanoethyl)anilino]ethyl propanoate.
Chemical Property Profile of Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]-
Property Insights of Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]-. With a topological polar surface area (TPSA) of 53.3 Ų, Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-[[2-(1-oxopropoxy)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-(1-oxopropoxy)ethyl]phenylamino]-?
The CAS number of Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]- is 68444-10-0.
What is the molecular formula of Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]-?
The molecular formula of Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]- is C14H18N2O2.
What is the molecular weight of Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]-?
The molecular weight of Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]- is 246.14 g/mol.
Where can I buy Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]-?
You can request a quote for Propanenitrile, 3-[[2-(1-oxopropoxy)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-(1-oxopropoxy)ethyl]phenylamino]-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.