Methyl 2-(cyanomethoxy)-4-methoxybenzoate
TL;DR: Methyl 2-(cyanomethoxy)-4-methoxybenzoate (CAS 104796-27-2) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(cyanomethoxy)-4-methoxybenzoate
Also Known As: methyl 2-(cyanomethoxy)-4-methoxybenzoate
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.38418 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 422.483 |
Chemical Identifiers
| CAS Number | 104796-27-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)OC)OCC#N |
Product Overview
Methyl 2-(cyanomethoxy)-4-methoxybenzoate (CAS 104796-27-2), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: methyl 2-(cyanomethoxy)-4-methoxybenzoate.
Chemical Property Profile of Methyl 2-(cyanomethoxy)-4-methoxybenzoate
Property Insights of Methyl 2-(cyanomethoxy)-4-methoxybenzoate
The XLogP value of 1.38418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(cyanomethoxy)-4-methoxybenzoate. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(cyanomethoxy)-4-methoxybenzoate. Following Lipinski's Rule of Five, Methyl 2-(cyanomethoxy)-4-methoxybenzoate has 0 hydrogen bond donor(s) and 5 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 2-(cyanomethoxy)-4-methoxybenzoate?
The CAS number of Methyl 2-(cyanomethoxy)-4-methoxybenzoate is 104796-27-2.
What is the molecular formula of Methyl 2-(cyanomethoxy)-4-methoxybenzoate?
The molecular formula of Methyl 2-(cyanomethoxy)-4-methoxybenzoate is C11H11NO4.
What is the molecular weight of Methyl 2-(cyanomethoxy)-4-methoxybenzoate?
The molecular weight of Methyl 2-(cyanomethoxy)-4-methoxybenzoate is 221.07 g/mol.
Where can I buy Methyl 2-(cyanomethoxy)-4-methoxybenzoate?
You can request a quote for Methyl 2-(cyanomethoxy)-4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(cyanomethoxy)-4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(cyanomethoxy)-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.