邻百里酚酸
TL;DR: 邻百里酚酸 (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.
邻百里酚酸
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
邻百里酚酸 (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 邻百里酚酸
Property Insights of 邻百里酚酸
The XLogP value of 3.1 indicates that 邻百里酚酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 邻百里酚酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻百里酚酸 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 邻百里酚酸?
The CAS number of 邻百里酚酸 is 548-51-6.
What is the molecular formula of 邻百里酚酸?
The molecular formula of 邻百里酚酸 is C11H14O3.
What is the molecular weight of 邻百里酚酸?
The molecular weight of 邻百里酚酸 is 194.09 g/mol.
Where can I buy 邻百里酚酸?
You can request a quote for 邻百里酚酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻百里酚酸?
Yes, KEHONG BIO provides custom synthesis services for 邻百里酚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.