![2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate structure](/static/products/6957/6957-52-4.webp)
2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate
TL;DR: 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate (CAS 6957-52-4) is a chemical compound with molecular formula C17H23NO3 and molecular weight 289.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[acetyl(cyclohexyl)amino]methyl]phenyl] acetate
Also Known As: 2-{[acetyl(cyclohexyl)amino]methyl}phenyl acetate, [2-[[acetyl(cyclohexyl)amino]methyl]phenyl] acetate, 2-[(N-CYCLOHEXYLACETAMIDO)METHYL]PHENYL ACETATE, Acetamide,N-[[2-(acetyloxy)phenyl]methyl]-N-cyclohexyl-
| Molecular Formula | C17H23NO3 |
|---|---|
| Molecular Weight | 289.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.1678 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 6957-52-4 |
|---|---|
| SMILES | CC(=O)N(CC1=CC=CC=C1OC(=O)C)C2CCCCC2 |
| InChIKey | ZCKHHFIDRHUXIC-UHFFFAOYSA-N |
Product Overview
2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate (CAS 6957-52-4), with molecular formula C17H23NO3 and molecular weight 289.17 g/mol. IUPAC: [2-[[acetyl(cyclohexyl)amino]methyl]phenyl] acetate.
Chemical Property Profile of 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate
Property Insights of 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate. With a topological polar surface area (TPSA) of 46.6 Ų, 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate has 0 hydrogen bond donor(s) and 3 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 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate?
The CAS number of 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate is 6957-52-4.
What is the molecular formula of 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate?
The molecular formula of 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate is C17H23NO3.
What is the molecular weight of 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate?
The molecular weight of 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate is 289.17 g/mol.
Where can I buy 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate?
You can request a quote for 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[Acetyl(cyclohexyl)amino]methyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.