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Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]-
TL;DR: Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]- (CAS 51228-92-3) 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)-3-methylanilino]ethyl acetate
Also Known As: m-Toluidine, N-acetoxyethyl-N-cyanoethyl-, 2-[N-(2-cyanoethyl)-3-methylanilino]ethyl acetate, Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]-, 3-methyl-N-cyanoethyl-N-acetoxyethylaniline, N-CYANOETHYL-N-ACETOXYLETHYL-M-TOLUIDINE
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | 2.2782 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 437.66528 |
Chemical Identifiers
| CAS Number | 51228-92-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N(CCC#N)CCOC(=O)C |
Product Overview
Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]- (CAS 51228-92-3), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: 2-[N-(2-cyanoethyl)-3-methylanilino]ethyl acetate.
Chemical Property Profile of Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]-
Property Insights of Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]-
The XLogP value of 2.2782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]-. With a topological polar surface area (TPSA) of 53.33 Ų, Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]- 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-(acetyloxy)ethyl](3-methylphenyl)amino]-?
The CAS number of Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]- is 51228-92-3.
What is the molecular formula of Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]-?
The molecular formula of Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]- is C14H18N2O2.
What is the molecular weight of Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]-?
The molecular weight of Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]- is 246.14 g/mol.
Where can I buy Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]-?
You can request a quote for Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]- 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](3-methylphenyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-[[2-(acetyloxy)ethyl](3-methylphenyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.