![4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate structure](/static/products/3352/335206-63-8.webp)
4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate
TL;DR: 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate (CAS 335206-63-8) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-(cyanomethyl)phenyl]carbamoyl]phenyl] acetate
Also Known As: 4-{[4-(Cyanomethyl)anilino]carbonyl}, 4-{[4-(cyanomethyl)anilino]carbonyl}phenyl acetate, [4-[[4-(cyanomethyl)phenyl]carbamoyl]phenyl] acetate, 4-((4-(cyanomethyl)phenyl)carbamoyl)phenyl acetate
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.93028 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 713.06445 |
Chemical Identifiers
| CAS Number | 335206-63-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC#N |
Product Overview
4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate (CAS 335206-63-8), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: [4-[[4-(cyanomethyl)phenyl]carbamoyl]phenyl] acetate.
Chemical Property Profile of 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate
Property Insights of 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate
The XLogP value of 2.93028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate. Following Lipinski's Rule of Five, 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate has 1 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 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate?
The CAS number of 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate is 335206-63-8.
What is the molecular formula of 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate?
The molecular formula of 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate is C17H14N2O3.
What is the molecular weight of 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate?
The molecular weight of 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate is 294.10 g/mol.
Where can I buy 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate?
You can request a quote for 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(Cyanomethyl)anilino]carbonyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.