4-Cyano-2-ethoxyphenyl acetate
TL;DR: 4-Cyano-2-ethoxyphenyl acetate (CAS 6299-67-8) 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.
(4-cyano-2-ethoxyphenyl) acetate
Also Known As: 4-cyano-2-ethoxyphenyl acetate, (4-cyano-2-ethoxyphenyl) acetate, (4-cyano-2-ethoxy-phenyl) acetate, benzonitrile, 4-(acetyloxy)-3-ethoxy-, 4-CYANO-2-ETHOXYPHENYLACETATE
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.7 |
| 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 | 268.0 |
Chemical Identifiers
| CAS Number | 6299-67-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C#N)OC(=O)C |
| InChIKey | IIPMFYNRTPVVIO-UHFFFAOYSA-N |
Product Overview
4-Cyano-2-ethoxyphenyl acetate (CAS 6299-67-8), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: (4-cyano-2-ethoxyphenyl) acetate.
Chemical Property Profile of 4-Cyano-2-ethoxyphenyl acetate
Property Insights of 4-Cyano-2-ethoxyphenyl acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-2-ethoxyphenyl acetate. With a topological polar surface area (TPSA) of 59.3 Ų, 4-Cyano-2-ethoxyphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-2-ethoxyphenyl 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 4-Cyano-2-ethoxyphenyl acetate?
The CAS number of 4-Cyano-2-ethoxyphenyl acetate is 6299-67-8.
What is the molecular formula of 4-Cyano-2-ethoxyphenyl acetate?
The molecular formula of 4-Cyano-2-ethoxyphenyl acetate is C11H11NO3.
What is the molecular weight of 4-Cyano-2-ethoxyphenyl acetate?
The molecular weight of 4-Cyano-2-ethoxyphenyl acetate is 205.07 g/mol.
Where can I buy 4-Cyano-2-ethoxyphenyl acetate?
You can request a quote for 4-Cyano-2-ethoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-2-ethoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-2-ethoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.