Methyl 4-(4-cyanophenoxy)benzoate
TL;DR: Methyl 4-(4-cyanophenoxy)benzoate (CAS 201480-94-6) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-cyanophenoxy)benzoate
Also Known As: methyl 4-(4-cyanophenoxy)benzoate, methyl4-(4-cyanophenoxy)benzoate, BAS 00090370, 4-(4-Cyanophenoxy)benzoic acid methyl ester, J2.345.767I
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 201480-94-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N |
| InChIKey | ALQLCHDVYMZVJA-UHFFFAOYSA-N |
Product Overview
Methyl 4-(4-cyanophenoxy)benzoate (CAS 201480-94-6), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: methyl 4-(4-cyanophenoxy)benzoate.
Chemical Property Profile of Methyl 4-(4-cyanophenoxy)benzoate
Property Insights of Methyl 4-(4-cyanophenoxy)benzoate
The XLogP value of 3.5 indicates that Methyl 4-(4-cyanophenoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Methyl 4-(4-cyanophenoxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-cyanophenoxy)benzoate 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 Methyl 4-(4-cyanophenoxy)benzoate?
The CAS number of Methyl 4-(4-cyanophenoxy)benzoate is 201480-94-6.
What is the molecular formula of Methyl 4-(4-cyanophenoxy)benzoate?
The molecular formula of Methyl 4-(4-cyanophenoxy)benzoate is C15H11NO3.
What is the molecular weight of Methyl 4-(4-cyanophenoxy)benzoate?
The molecular weight of Methyl 4-(4-cyanophenoxy)benzoate is 253.07 g/mol.
Where can I buy Methyl 4-(4-cyanophenoxy)benzoate?
You can request a quote for Methyl 4-(4-cyanophenoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-cyanophenoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-cyanophenoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.