Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)-
TL;DR: Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- (CAS 4389-53-1) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid
Also Known As: o-Carvacrotic acid, 2-Hydroxy-6-isopropyl-3-methylbenzoic acid, o-Carvacrotinic acid, 6-Isopropyl-3-methylsalicylic acid, 2-Hydroxy-p-cymene-3-carboxylic acid
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 4389-53-1 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)C(=O)O)O |
| InChIKey | ZHLQYPNVDAMSFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- (CAS 4389-53-1), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)-
Property Insights of Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)-
The XLogP value of 3.1 indicates that Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- 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 Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)-?
The CAS number of Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- is 4389-53-1.
What is the molecular formula of Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)-?
The molecular formula of Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- is C11H14O3.
What is the molecular weight of Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)-?
The molecular weight of Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- is 194.09 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)-?
You can request a quote for Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-hydroxy-3-methyl-6-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.