Tert-butyl 2-(4-cyanophenoxy)acetate
TL;DR: Tert-butyl 2-(4-cyanophenoxy)acetate (CAS 147840-05-9) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(4-cyanophenoxy)acetate
Also Known As: tert-butyl 2-(4-cyanophenoxy)acetate, tert-butyl2-(4-cyanophenoxy)acetate
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.27878 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 423.46317 |
Chemical Identifiers
| CAS Number | 147840-05-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC=C(C=C1)C#N |
Product Overview
Tert-butyl 2-(4-cyanophenoxy)acetate (CAS 147840-05-9), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: tert-butyl 2-(4-cyanophenoxy)acetate.
Chemical Property Profile of Tert-butyl 2-(4-cyanophenoxy)acetate
Property Insights of Tert-butyl 2-(4-cyanophenoxy)acetate
The XLogP value of 2.27878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-(4-cyanophenoxy)acetate. With a topological polar surface area (TPSA) of 59.32 Ų, Tert-butyl 2-(4-cyanophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-(4-cyanophenoxy)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 Tert-butyl 2-(4-cyanophenoxy)acetate?
The CAS number of Tert-butyl 2-(4-cyanophenoxy)acetate is 147840-05-9.
What is the molecular formula of Tert-butyl 2-(4-cyanophenoxy)acetate?
The molecular formula of Tert-butyl 2-(4-cyanophenoxy)acetate is C13H15NO3.
What is the molecular weight of Tert-butyl 2-(4-cyanophenoxy)acetate?
The molecular weight of Tert-butyl 2-(4-cyanophenoxy)acetate is 233.11 g/mol.
Where can I buy Tert-butyl 2-(4-cyanophenoxy)acetate?
You can request a quote for Tert-butyl 2-(4-cyanophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-(4-cyanophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-(4-cyanophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.