Cyano(4-methoxyphenyl)methyl acetate
TL;DR: Cyano(4-methoxyphenyl)methyl acetate (CAS 99843-19-3) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[cyano-(4-methoxyphenyl)methyl] acetate
Also Known As: cyano(4-methoxyphenyl)methyl acetate, [cyano-(4-methoxyphenyl)methyl] acetate, alpha-acetoxy-2-(4-methoxyphenyl)acetonitrile, alpha-Acetoxy-4-methoxybenzeneacetonitrile, Acetic acid 4-methoxy-alpha-cyanobenzyl ester
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 99843-19-3 |
|---|---|
| SMILES | CC(=O)OC(C#N)C1=CC=C(C=C1)OC |
| InChIKey | IVJAHTMZHLEDFC-UHFFFAOYSA-N |
Product Overview
Cyano(4-methoxyphenyl)methyl acetate (CAS 99843-19-3), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: [cyano-(4-methoxyphenyl)methyl] acetate.
Chemical Property Profile of Cyano(4-methoxyphenyl)methyl acetate
Property Insights of Cyano(4-methoxyphenyl)methyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyano(4-methoxyphenyl)methyl acetate. With a topological polar surface area (TPSA) of 59.3 Ų, Cyano(4-methoxyphenyl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyano(4-methoxyphenyl)methyl acetate 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 Cyano(4-methoxyphenyl)methyl acetate?
The CAS number of Cyano(4-methoxyphenyl)methyl acetate is 99843-19-3.
What is the molecular formula of Cyano(4-methoxyphenyl)methyl acetate?
The molecular formula of Cyano(4-methoxyphenyl)methyl acetate is C11H11NO3.
What is the molecular weight of Cyano(4-methoxyphenyl)methyl acetate?
The molecular weight of Cyano(4-methoxyphenyl)methyl acetate is 205.07 g/mol.
Where can I buy Cyano(4-methoxyphenyl)methyl acetate?
You can request a quote for Cyano(4-methoxyphenyl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyano(4-methoxyphenyl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyano(4-methoxyphenyl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.