2-羟基-4-甲基-5-异丙基苯甲酸
TL;DR: 2-羟基-4-甲基-5-异丙基苯甲酸 (CAS 17479-64-0) 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-羟基-4-甲基-5-异丙基苯甲酸
2-hydroxy-4-methyl-5-propan-2-ylbenzoic acid
Also Known As: 5-Hydroxy-o-cymene-4-carboxylic acid, o-CYMENE-4-CARBOXYLIC ACID, 5-HYDROXY-, 2-Hydroxy-4-methyl-5-isopropylbenzoic acid, Benzoic acid, 2-hydroxy-4-methyl-5-(1-methylethyl)-, 2-hydroxy-4-methyl-5-propan-2-ylbenzoic 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 | 17479-64-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(C)C)C(=O)O)O |
| InChIKey | WWWWTUNQOKAKHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羟基-4-甲基-5-异丙基苯甲酸 (CAS 17479-64-0), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-hydroxy-4-methyl-5-propan-2-ylbenzoic acid.
Chemical Property Profile of 2-羟基-4-甲基-5-异丙基苯甲酸
Property Insights of 2-羟基-4-甲基-5-异丙基苯甲酸
The XLogP value of 3.1 indicates that 2-羟基-4-甲基-5-异丙基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 2-羟基-4-甲基-5-异丙基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-羟基-4-甲基-5-异丙基苯甲酸 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 2-羟基-4-甲基-5-异丙基苯甲酸?
The CAS number of 2-羟基-4-甲基-5-异丙基苯甲酸 is 17479-64-0.
What is the molecular formula of 2-羟基-4-甲基-5-异丙基苯甲酸?
The molecular formula of 2-羟基-4-甲基-5-异丙基苯甲酸 is C11H14O3.
What is the molecular weight of 2-羟基-4-甲基-5-异丙基苯甲酸?
The molecular weight of 2-羟基-4-甲基-5-异丙基苯甲酸 is 194.09 g/mol.
Where can I buy 2-羟基-4-甲基-5-异丙基苯甲酸?
You can request a quote for 2-羟基-4-甲基-5-异丙基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基-4-甲基-5-异丙基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基-4-甲基-5-异丙基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.