Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1)
TL;DR: Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1) (CAS 71487-10-0) is a chemical compound with molecular formula C15H20N2O4 and molecular weight 292.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;2-[N-(2-cyanoethyl)anilino]ethyl acetate
Also Known As: (2-Acetoxyethyl)(2-cyanoethyl)phenylammonium acetate, Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, monoacetate, Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, monoacetate, Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1), acetic acid; 2-[N-(2-cyanoethyl)anilino]ethyl acetate
| Molecular Formula | C15H20N2O4 |
|---|---|
| Molecular Weight | 292.14 g/mol |
| LogP | 2.06068 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.1423 |
| Heavy Atoms | 21 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 71487-10-0 |
|---|---|
| SMILES | CC(=O)O.CC(=O)OCCN(CCC#N)C1=CC=CC=C1 |
| InChIKey | QFTRNUOMNHYMPK-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1) (CAS 71487-10-0), with molecular formula C15H20N2O4 and molecular weight 292.14 g/mol. IUPAC: acetic acid;2-[N-(2-cyanoethyl)anilino]ethyl acetate.
Chemical Property Profile of Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1)
Property Insights of Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1)
The XLogP value of 2.06068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1). The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1). Following Lipinski's Rule of Five, Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1) has 1 hydrogen bond donor(s) and 6 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-(acetyloxy)ethyl)phenylamino)-, acetate (1:1)?
The CAS number of Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1) is 71487-10-0.
What is the molecular formula of Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1)?
The molecular formula of Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1) is C15H20N2O4.
What is the molecular weight of Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1)?
The molecular weight of Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1) is 292.14 g/mol.
Where can I buy Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1)?
You can request a quote for Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1) 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-(acetyloxy)ethyl)phenylamino)-, acetate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((2-(acetyloxy)ethyl)phenylamino)-, acetate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.