TL;DR: Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate (CAS 127761-05-1) is a chemical compound with molecular formula C11H13IO5 and molecular weight 351.98077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate
Also Known As: HIDM, Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate, DDAKTXCYCCRJKJ-UHFFFAOYSA-, METHYL 4-HYDROXY-3-IODO-5,6-DIMETHOXY-2-METHYLBENZOATE, Benzoic acid,4-hydroxy-3-iodo-5,6-dimethoxy-2-methyl-, methyl ester
| Molecular Formula | C11H13IO5 |
| Molecular Weight | 351.98077 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.98077 Da |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
| SMILES | CC1=C(C(=C(C(=C1I)O)OC)OC)C(=O)OC |
| InChIKey | DDAKTXCYCCRJKJ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate. Following Lipinski's Rule of Five, Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate is 127761-05-1.
The molecular formula of Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate is C11H13IO5.
The molecular weight of Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate is 351.98077 g/mol.
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