Methyl 2-isocyano-4,5-dimethoxybenzoate
TL;DR: Methyl 2-isocyano-4,5-dimethoxybenzoate (CAS 1030269-24-9) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-isocyano-4,5-dimethoxybenzoate
Also Known As: methyl 2-isocyano-4,5-dimethoxybenzoate, Methyl 2-isocyano-4,5-dimethoxy-benzoate
Technical Specifications
| Molecular Formula | C11H11NO4 |
| Molecular Weight | 221.0688 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 Da |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)[N+]#[C-])OC |
| InChIKey | IICXTIQAAXJYDI-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-isocyano-4,5-dimethoxybenzoate
Property Insights of Methyl 2-isocyano-4,5-dimethoxybenzoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-isocyano-4,5-dimethoxybenzoate. With a topological polar surface area (TPSA) of 49.1 Ų, Methyl 2-isocyano-4,5-dimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-isocyano-4,5-dimethoxybenzoate 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
What is the CAS number of Methyl 2-isocyano-4,5-dimethoxybenzoate?
The CAS number of Methyl 2-isocyano-4,5-dimethoxybenzoate is 1030269-24-9.
What is the molecular formula of Methyl 2-isocyano-4,5-dimethoxybenzoate?
The molecular formula of Methyl 2-isocyano-4,5-dimethoxybenzoate is C11H11NO4.
What is the molecular weight of Methyl 2-isocyano-4,5-dimethoxybenzoate?
The molecular weight of Methyl 2-isocyano-4,5-dimethoxybenzoate is 221.0688 g/mol.
Where can I buy Methyl 2-isocyano-4,5-dimethoxybenzoate?
You can request a quote for Methyl 2-isocyano-4,5-dimethoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-isocyano-4,5-dimethoxybenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-isocyano-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.