4-Isopropoxy-phthalic acid
TL;DR: 4-Isopropoxy-phthalic acid (CAS 223387-87-9) 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.
4-propan-2-yloxyphthalic acid
Also Known As: 4-isopropoxyphthalic acid, 4-Isopropoxy-phthalic acid, 4-(2-propyloxy)phthalic acid, 4-propan-2-yloxyphthalic acid, 4-(propan-2-yloxy)benzene-1,2-dicarboxylic acid
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.8702 |
| 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 | 422.38315 |
Chemical Identifiers
| CAS Number | 223387-87-9 |
|---|---|
| SMILES | CC(C)OC1=CC(=C(C=C1)C(=O)O)C(=O)O |
Product Overview
4-Isopropoxy-phthalic acid (CAS 223387-87-9), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: 4-propan-2-yloxyphthalic acid.
Chemical Property Profile of 4-Isopropoxy-phthalic acid
Property Insights of 4-Isopropoxy-phthalic acid
The XLogP value of 1.8702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropoxy-phthalic acid. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isopropoxy-phthalic acid. Following Lipinski's Rule of Five, 4-Isopropoxy-phthalic 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 4-Isopropoxy-phthalic acid?
The CAS number of 4-Isopropoxy-phthalic acid is 223387-87-9.
What is the molecular formula of 4-Isopropoxy-phthalic acid?
The molecular formula of 4-Isopropoxy-phthalic acid is C11H12O5.
What is the molecular weight of 4-Isopropoxy-phthalic acid?
The molecular weight of 4-Isopropoxy-phthalic acid is 224.07 g/mol.
Where can I buy 4-Isopropoxy-phthalic acid?
You can request a quote for 4-Isopropoxy-phthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropoxy-phthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropoxy-phthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.