Methyl(2-iodo-4,5-dimethoxyphenyl)acetate
TL;DR: Methyl(2-iodo-4,5-dimethoxyphenyl)acetate (CAS 35535-81-0) is a chemical compound with molecular formula C11H13IO4 and molecular weight 335.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-iodo-4,5-dimethoxyphenyl)acetate
Also Known As: methyl(2-iodo-4,5-dimethoxyphenyl)acetate, methyl 2-(2-iodo-4,5-dimethoxyphenyl)acetate, methyl 2-(2-iodo-4,5-dimethoxy-phenyl)acetate, Methyl (2-iodo-4,5-dimethoxyphenyl)acetate, 2-iodo-4,5-dimethoxyphenylacetic acid methyl ester
| Molecular Formula | C11H13IO4 |
|---|---|
| Molecular Weight | 335.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.98587 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 35535-81-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)OC)I)OC |
| InChIKey | GJHOWQCDFQFKKH-UHFFFAOYSA-N |
Product Overview
Methyl(2-iodo-4,5-dimethoxyphenyl)acetate (CAS 35535-81-0), with molecular formula C11H13IO4 and molecular weight 335.99 g/mol. IUPAC: methyl 2-(2-iodo-4,5-dimethoxyphenyl)acetate.
Chemical Property Profile of Methyl(2-iodo-4,5-dimethoxyphenyl)acetate
Property Insights of Methyl(2-iodo-4,5-dimethoxyphenyl)acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl(2-iodo-4,5-dimethoxyphenyl)acetate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl(2-iodo-4,5-dimethoxyphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl(2-iodo-4,5-dimethoxyphenyl)acetate 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
Frequently Asked Questions
What is the CAS number of Methyl(2-iodo-4,5-dimethoxyphenyl)acetate?
The CAS number of Methyl(2-iodo-4,5-dimethoxyphenyl)acetate is 35535-81-0.
What is the molecular formula of Methyl(2-iodo-4,5-dimethoxyphenyl)acetate?
The molecular formula of Methyl(2-iodo-4,5-dimethoxyphenyl)acetate is C11H13IO4.
What is the molecular weight of Methyl(2-iodo-4,5-dimethoxyphenyl)acetate?
The molecular weight of Methyl(2-iodo-4,5-dimethoxyphenyl)acetate is 335.99 g/mol.
Where can I buy Methyl(2-iodo-4,5-dimethoxyphenyl)acetate?
You can request a quote for Methyl(2-iodo-4,5-dimethoxyphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl(2-iodo-4,5-dimethoxyphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl(2-iodo-4,5-dimethoxyphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.