4-Cyanophenyl 2-(p-tolyloxy)acetate
TL;DR: 4-Cyanophenyl 2-(p-tolyloxy)acetate (CAS 392237-84-2) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyanophenyl) 2-(4-methylphenoxy)acetate
Also Known As: 4-Cyanophenyl 2-(4-methylphenoxy)acetate, 4-cyanophenyl 2-(p-tolyloxy)acetate, 4-Cyanophenyl (4-methylphenoxy)acetate, (4-cyanophenyl) 2-(4-methylphenoxy)acetate, Acetic acid, 2-(4-methylphenoxy)-, 4-cyanophenyl ester
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.8511 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 624.2667 |
Chemical Identifiers
| CAS Number | 392237-84-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)OC2=CC=C(C=C2)C#N |
Product Overview
4-Cyanophenyl 2-(p-tolyloxy)acetate (CAS 392237-84-2), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: (4-cyanophenyl) 2-(4-methylphenoxy)acetate.
Chemical Property Profile of 4-Cyanophenyl 2-(p-tolyloxy)acetate
Property Insights of 4-Cyanophenyl 2-(p-tolyloxy)acetate
The XLogP value of 2.8511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanophenyl 2-(p-tolyloxy)acetate. With a topological polar surface area (TPSA) of 59.32 Ų, 4-Cyanophenyl 2-(p-tolyloxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanophenyl 2-(p-tolyloxy)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-Cyanophenyl 2-(p-tolyloxy)acetate?
The CAS number of 4-Cyanophenyl 2-(p-tolyloxy)acetate is 392237-84-2.
What is the molecular formula of 4-Cyanophenyl 2-(p-tolyloxy)acetate?
The molecular formula of 4-Cyanophenyl 2-(p-tolyloxy)acetate is C16H13NO3.
What is the molecular weight of 4-Cyanophenyl 2-(p-tolyloxy)acetate?
The molecular weight of 4-Cyanophenyl 2-(p-tolyloxy)acetate is 267.09 g/mol.
Where can I buy 4-Cyanophenyl 2-(p-tolyloxy)acetate?
You can request a quote for 4-Cyanophenyl 2-(p-tolyloxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanophenyl 2-(p-tolyloxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanophenyl 2-(p-tolyloxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.