2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile
TL;DR: 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile (CAS 5543-58-8) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(cyanomethoxy)-3-methoxyphenyl] acetate
Also Known As: 2-(4-ACETOXY-2-METHOXYPHENOXY)-ACETONITRILE, R-(+)-Warfarin, [4-(cyanomethoxy)-3-methoxyphenyl] acetate, 2-(4-acetoxy-2-methoxyphenoxy)acetonitrile, 4-(CYANOMETHOXY)-3-METHOXYPHENYL ACETATE
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.52288 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 422.483 |
Chemical Identifiers
| CAS Number | 5543-58-8 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)OCC#N)OC |
Product Overview
2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile (CAS 5543-58-8), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: [4-(cyanomethoxy)-3-methoxyphenyl] acetate.
Chemical Property Profile of 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile
Property Insights of 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile
The XLogP value of 1.52288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile. Following Lipinski's Rule of Five, 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile has 0 hydrogen bond donor(s) and 5 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-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile?
The CAS number of 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile is 5543-58-8.
What is the molecular formula of 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile?
The molecular formula of 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile is C11H11NO4.
What is the molecular weight of 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile?
The molecular weight of 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile is 221.07 g/mol.
Where can I buy 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile?
You can request a quote for 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Acetoxy-2-methoxyphenoxy)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.