2-Ethyl-5-methoxyisophthalic acid
TL;DR: 2-Ethyl-5-methoxyisophthalic acid (CAS 28746-10-3) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5-methoxybenzene-1,3-dicarboxylic acid
Also Known As: 2-Ethyl-5-methoxyisophthalic acid, 2-ethyl-5-methoxy-isophthalic acid, 2-ethyl-5-methoxybenzene-1,3-dicarboxylic acid, 2-ethyl-5-methoxy-benzene-1,3-dicarboxylic Acid
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.654 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 400.99622 |
Chemical Identifiers
| CAS Number | 28746-10-3 |
|---|---|
| SMILES | CCC1=C(C=C(C=C1C(=O)O)OC)C(=O)O |
Product Overview
2-Ethyl-5-methoxyisophthalic acid (CAS 28746-10-3), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: 2-ethyl-5-methoxybenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 2-Ethyl-5-methoxyisophthalic acid
Property Insights of 2-Ethyl-5-methoxyisophthalic acid
The XLogP value of 1.654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-5-methoxyisophthalic acid. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-5-methoxyisophthalic acid. Following Lipinski's Rule of Five, 2-Ethyl-5-methoxyisophthalic acid has 2 hydrogen bond donor(s) and 3 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 2-Ethyl-5-methoxyisophthalic acid?
The CAS number of 2-Ethyl-5-methoxyisophthalic acid is 28746-10-3.
What is the molecular formula of 2-Ethyl-5-methoxyisophthalic acid?
The molecular formula of 2-Ethyl-5-methoxyisophthalic acid is C11H12O5.
What is the molecular weight of 2-Ethyl-5-methoxyisophthalic acid?
The molecular weight of 2-Ethyl-5-methoxyisophthalic acid is 224.07 g/mol.
Where can I buy 2-Ethyl-5-methoxyisophthalic acid?
You can request a quote for 2-Ethyl-5-methoxyisophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-5-methoxyisophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-5-methoxyisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.