Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate
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 351.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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 | 351.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.98077 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 127761-05-1 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1I)O)OC)OC)C(=O)OC |
| InChIKey | DDAKTXCYCCRJKJ-UHFFFAOYSA-N |
Product Overview
Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate (CAS 127761-05-1), with molecular formula C11H13IO5 and molecular weight 351.98 g/mol. IUPAC: methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate.
Chemical Property Profile of Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate
Property Insights of Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate
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.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate?
The CAS number of Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate is 127761-05-1.
What is the molecular formula of Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate?
The molecular formula of Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate is C11H13IO5.
What is the molecular weight of Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate?
The molecular weight of Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate is 351.98 g/mol.
Where can I buy Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate?
You can request a quote for Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.