![Methyl 3-[(4-cyanophenoxy)methyl]benzoate structure](/static/products/1675/167569-28-0.webp)
Methyl 3-[(4-cyanophenoxy)methyl]benzoate
TL;DR: Methyl 3-[(4-cyanophenoxy)methyl]benzoate (CAS 167569-28-0) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[(4-cyanophenoxy)methyl]benzoate
Also Known As: methyl 3-[(4-cyanophenoxy)methyl]benzoate, Methyl 3-((4-cyanophenoxy)methyl)benzoate, methyl 3-(4-cyano-phenoxymethyl)-benzoate
Technical Specifications
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.08954 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.08954 Da |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
| SMILES | COC(=O)C1=CC=CC(=C1)COC2=CC=C(C=C2)C#N |
| InChIKey | YKNRVMYWKDAGFX-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-[(4-cyanophenoxy)methyl]benzoate
Property Insights of Methyl 3-[(4-cyanophenoxy)methyl]benzoate
The XLogP value of 3.0 indicates that Methyl 3-[(4-cyanophenoxy)methyl]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 3-[(4-cyanophenoxy)methyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(4-cyanophenoxy)methyl]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
What is the CAS number of Methyl 3-[(4-cyanophenoxy)methyl]benzoate?
The CAS number of Methyl 3-[(4-cyanophenoxy)methyl]benzoate is 167569-28-0.
What is the molecular formula of Methyl 3-[(4-cyanophenoxy)methyl]benzoate?
The molecular formula of Methyl 3-[(4-cyanophenoxy)methyl]benzoate is C16H13NO3.
What is the molecular weight of Methyl 3-[(4-cyanophenoxy)methyl]benzoate?
The molecular weight of Methyl 3-[(4-cyanophenoxy)methyl]benzoate is 267.08954 g/mol.
Where can I buy Methyl 3-[(4-cyanophenoxy)methyl]benzoate?
You can request a quote for Methyl 3-[(4-cyanophenoxy)methyl]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-[(4-cyanophenoxy)methyl]benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-[(4-cyanophenoxy)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.