Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-
TL;DR: Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- (CAS 584-44-1) 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.
4-hydroxy-2-methyl-5-propan-2-ylbenzoic acid
Also Known As: p-Thymotic acid, p-Thymotinic acid, 4-hydroxy-2-methyl-5-(propan-2-yl)benzoic acid, 5-Hydroxy-p-cymene-2-carboxylic acid, 4-hydroxy-2-methyl-5-propan-2-ylbenzoic acid
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.8 |
| 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 | 584-44-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)O)C(C)C)O |
| InChIKey | FZGYCAHIHBHTNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- (CAS 584-44-1), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 4-hydroxy-2-methyl-5-propan-2-ylbenzoic acid.
Chemical Property Profile of Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-
Property Insights of Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-. With a topological polar surface area (TPSA) of 57.5 Ų, Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-hydroxy-2-methyl-5-(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, 4-hydroxy-2-methyl-5-(1-methylethyl)-?
The CAS number of Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- is 584-44-1.
What is the molecular formula of Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-?
The molecular formula of Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- is C11H14O3.
What is the molecular weight of Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-?
The molecular weight of Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- is 194.09 g/mol.
Where can I buy Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-?
You can request a quote for Benzoic acid, 4-hydroxy-2-methyl-5-(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, 4-hydroxy-2-methyl-5-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.