4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid
TL;DR: 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid (CAS 7498-53-5) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxycarbonyl-2,6-dimethylbenzoic acid
Also Known As: 4-(methoxycarbonyl)-2,6-dimethylbenzoic acid, 4-methoxycarbonyl-2,6-dimethylbenzoic acid, 4-Methoxycarbonyl-2,6-dimethyl-benzoic acid, 2,6-dimethyl-4-(methoxycarbonyl)benzoic acid, AE-562/43287088
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 7498-53-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O)C)C(=O)OC |
| InChIKey | XOCGGTZMYAMKCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid (CAS 7498-53-5), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 4-methoxycarbonyl-2,6-dimethylbenzoic acid.
Chemical Property Profile of 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid
Property Insights of 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid. Following Lipinski's Rule of Five, 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid has 1 hydrogen bond donor(s) and 4 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-(Methoxycarbonyl)-2,6-dimethylbenzoic acid?
The CAS number of 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid is 7498-53-5.
What is the molecular formula of 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid?
The molecular formula of 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid is C11H12O4.
What is the molecular weight of 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid?
The molecular weight of 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid is 208.07 g/mol.
Where can I buy 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid?
You can request a quote for 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.