Methyl 4-(cyanomethoxy)benzoate
TL;DR: Methyl 4-(cyanomethoxy)benzoate (CAS 137988-24-0) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(cyanomethoxy)benzoate
Also Known As: Methyl 4-(cyanomethoxy)benzoate, Methyl p-(cyanomethoxy)benzoate, Benzoic acid, 4-(cyanomethoxy)-, methyl ester, methyl 4-cyanomethyloxybenzoate, Methyl4-(cyanomethoxy)benzoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.05824 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.05824 Da |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)OCC#N |
| InChIKey | ISLSUSBRICMLQB-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(cyanomethoxy)benzoate
Property Insights of Methyl 4-(cyanomethoxy)benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(cyanomethoxy)benzoate. With a topological polar surface area (TPSA) of 59.3 Ų, Methyl 4-(cyanomethoxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(cyanomethoxy)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 4-(cyanomethoxy)benzoate?
The CAS number of Methyl 4-(cyanomethoxy)benzoate is 137988-24-0.
What is the molecular formula of Methyl 4-(cyanomethoxy)benzoate?
The molecular formula of Methyl 4-(cyanomethoxy)benzoate is C10H9NO3.
What is the molecular weight of Methyl 4-(cyanomethoxy)benzoate?
The molecular weight of Methyl 4-(cyanomethoxy)benzoate is 191.05824 g/mol.
Where can I buy Methyl 4-(cyanomethoxy)benzoate?
You can request a quote for Methyl 4-(cyanomethoxy)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(cyanomethoxy)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(cyanomethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.