3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid
TL;DR: 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid (CAS 832684-64-7) is a chemical compound with molecular formula C13H15IO6 and molecular weight 393.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid
Also Known As: 3-ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid, 3-ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoicacid, 3-ethoxy-4-(ethoxycarbonylmethoxy)-5-iodo-benzoic Acid, 5-ethoxy-4-[(ethoxycarbonyl)methoxy]-3-iodobenzoic acid, 3-ethoxy-4-(2-ethoxy-2-oxo-ethoxy)-5-iodo-benzoic acid
| Molecular Formula | C13H15IO6 |
|---|---|
| Molecular Weight | 393.99 g/mol |
| LogP | 2.33 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.99133 |
| Heavy Atoms | 20 |
| Complexity | 499.8799 |
Chemical Identifiers
| CAS Number | 832684-64-7 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C(=O)O)I)OCC(=O)OCC |
Product Overview
3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid (CAS 832684-64-7), with molecular formula C13H15IO6 and molecular weight 393.99 g/mol. IUPAC: 3-ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid.
Chemical Property Profile of 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid
Property Insights of 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid
The XLogP value of 2.33 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid. Following Lipinski's Rule of Five, 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid 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 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid?
The CAS number of 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid is 832684-64-7.
What is the molecular formula of 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid?
The molecular formula of 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid is C13H15IO6.
What is the molecular weight of 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid?
The molecular weight of 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid is 393.99 g/mol.
Where can I buy 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid?
You can request a quote for 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-4-(2-ethoxy-2-oxoethoxy)-5-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.