o-Thymotic acid
TL;DR: o-Thymotic acid (CAS 548-51-6) 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-6-methyl-3-propan-2-ylbenzoic acid
Also Known As: o-Thymotic acid, 2-Hydroxy-3-isopropyl-6-methylbenzoic acid, o-Thymotinic acid, 2-Thymotic acid, Orthothymotic 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 | 548-51-6 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)O)C(=O)O |
| InChIKey | FNWNGQGTFICQJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Thymotic acid (CAS 548-51-6), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-hydroxy-6-methyl-3-propan-2-ylbenzoic acid.
Chemical Property Profile of o-Thymotic acid
Property Insights of o-Thymotic acid
The XLogP value of 3.1 indicates that o-Thymotic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, o-Thymotic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Thymotic acid 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 o-Thymotic acid?
The CAS number of o-Thymotic acid is 548-51-6.
What is the molecular formula of o-Thymotic acid?
The molecular formula of o-Thymotic acid is C11H14O3.
What is the molecular weight of o-Thymotic acid?
The molecular weight of o-Thymotic acid is 194.09 g/mol.
Where can I buy o-Thymotic acid?
You can request a quote for o-Thymotic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Thymotic acid?
Yes, KEHONG BIO provides custom synthesis services for o-Thymotic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.