Methyl 2-iodo-3,5-dimethoxybenzoate
TL;DR: Methyl 2-iodo-3,5-dimethoxybenzoate (CAS 114605-46-8) is a chemical compound with molecular formula C10H11IO4 and molecular weight 321.9702 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-iodo-3,5-dimethoxybenzoate
Also Known As: methyl 2-iodo-3,5-dimethoxybenzoate, Methyl 3,5-dimethoxy-2-iodobenzoate, J3.070.022H, 2-Iodo-3,5-dimethoxybenzoic acid methyl ester, AN-651/43284948
Technical Specifications
| Molecular Formula | C10H11IO4 |
| Molecular Weight | 321.9702 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.9702 Da |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
| SMILES | COC1=CC(=C(C(=C1)OC)I)C(=O)OC |
| InChIKey | MILOEZCAQRACLH-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-iodo-3,5-dimethoxybenzoate
Property Insights of Methyl 2-iodo-3,5-dimethoxybenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-iodo-3,5-dimethoxybenzoate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 2-iodo-3,5-dimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-iodo-3,5-dimethoxybenzoate 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 2-iodo-3,5-dimethoxybenzoate?
The CAS number of Methyl 2-iodo-3,5-dimethoxybenzoate is 114605-46-8.
What is the molecular formula of Methyl 2-iodo-3,5-dimethoxybenzoate?
The molecular formula of Methyl 2-iodo-3,5-dimethoxybenzoate is C10H11IO4.
What is the molecular weight of Methyl 2-iodo-3,5-dimethoxybenzoate?
The molecular weight of Methyl 2-iodo-3,5-dimethoxybenzoate is 321.9702 g/mol.
Where can I buy Methyl 2-iodo-3,5-dimethoxybenzoate?
You can request a quote for Methyl 2-iodo-3,5-dimethoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-iodo-3,5-dimethoxybenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-iodo-3,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.