5-(Isopropyl)-4-methylphthalic acid
TL;DR: 5-(Isopropyl)-4-methylphthalic acid (CAS 84029-87-8) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-propan-2-ylphthalic acid
Also Known As: 5-(Isopropyl)-4-methylphthalic acid, 5- -4-methylphthalicacid, EINECS 281-758-1, 4-methyl-5-propan-2-ylphthalic acid, 4-methyl-5-(propan-2-yl)benzene-1,2-dicarboxylic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.51482 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 446.57715 |
Chemical Identifiers
| CAS Number | 84029-87-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(C)C)C(=O)O)C(=O)O |
Product Overview
5-(Isopropyl)-4-methylphthalic acid (CAS 84029-87-8), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 4-methyl-5-propan-2-ylphthalic acid.
Chemical Property Profile of 5-(Isopropyl)-4-methylphthalic acid
Property Insights of 5-(Isopropyl)-4-methylphthalic acid
The XLogP value of 2.51482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Isopropyl)-4-methylphthalic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Isopropyl)-4-methylphthalic acid. Following Lipinski's Rule of Five, 5-(Isopropyl)-4-methylphthalic acid has 2 hydrogen bond donor(s) and 2 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 5-(Isopropyl)-4-methylphthalic acid?
The CAS number of 5-(Isopropyl)-4-methylphthalic acid is 84029-87-8.
What is the molecular formula of 5-(Isopropyl)-4-methylphthalic acid?
The molecular formula of 5-(Isopropyl)-4-methylphthalic acid is C12H14O4.
What is the molecular weight of 5-(Isopropyl)-4-methylphthalic acid?
The molecular weight of 5-(Isopropyl)-4-methylphthalic acid is 222.09 g/mol.
Where can I buy 5-(Isopropyl)-4-methylphthalic acid?
You can request a quote for 5-(Isopropyl)-4-methylphthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Isopropyl)-4-methylphthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Isopropyl)-4-methylphthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.