Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate
TL;DR: Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate (CAS 4842-11-9) is a chemical compound with molecular formula C13H15IO5 and molecular weight 378.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(2-ethoxyethyl) 4-O-methyl 2-iodobenzene-1,4-dicarboxylate
Also Known As: Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate, 1-(2-ethoxyethyl) 4-methyl 2-iodobenzene-1,4-dicarboxylate, 1-O-(2-ethoxyethyl) 4-O-methyl 2-iodobenzene-1,4-dicarboxylate
| Molecular Formula | C13H15IO5 |
|---|---|
| Molecular Weight | 378.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.99643 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 4842-11-9 |
|---|---|
| SMILES | CCOCCOC(=O)C1=C(C=C(C=C1)C(=O)OC)I |
| InChIKey | HYUJYKKPSXRILQ-UHFFFAOYSA-N |
Product Overview
Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate (CAS 4842-11-9), with molecular formula C13H15IO5 and molecular weight 378.00 g/mol. IUPAC: 1-O-(2-ethoxyethyl) 4-O-methyl 2-iodobenzene-1,4-dicarboxylate.
Chemical Property Profile of Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate
Property Insights of Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate. Following Lipinski's Rule of Five, Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate 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
Frequently Asked Questions
What is the CAS number of Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate?
The CAS number of Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate is 4842-11-9.
What is the molecular formula of Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate?
The molecular formula of Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate is C13H15IO5.
What is the molecular weight of Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate?
The molecular weight of Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate is 378.00 g/mol.
Where can I buy Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate?
You can request a quote for Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-ethoxy-, ester with methyl 5-iodoisophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.