5-叔丁基-2-羟基苯甲酸
TL;DR: 5-叔丁基-2-羟基苯甲酸 (CAS 16094-31-8) 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.
5-叔丁基-2-羟基苯甲酸
5-tert-butyl-2-hydroxybenzoic acid
Also Known As: 5-tert-Butyl-2-hydroxybenzoic acid, 5-(tert-butyl)-2-hydroxybenzoic acid, 5-tert-butylsalicylic acid, 5-(1,1-Dimethylethyl)salicylic acid, Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 4.1 |
| 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 | 217.0 |
Chemical Identifiers
| CAS Number | 16094-31-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)C(=O)O |
| InChIKey | XAICWTLLSRXZPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-叔丁基-2-羟基苯甲酸 (CAS 16094-31-8), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 5-tert-butyl-2-hydroxybenzoic acid.
Chemical Property Profile of 5-叔丁基-2-羟基苯甲酸
Property Insights of 5-叔丁基-2-羟基苯甲酸
The XLogP value of 4.1 indicates that 5-叔丁基-2-羟基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 5-叔丁基-2-羟基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-叔丁基-2-羟基苯甲酸 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 5-叔丁基-2-羟基苯甲酸?
The CAS number of 5-叔丁基-2-羟基苯甲酸 is 16094-31-8.
What is the molecular formula of 5-叔丁基-2-羟基苯甲酸?
The molecular formula of 5-叔丁基-2-羟基苯甲酸 is C11H14O3.
What is the molecular weight of 5-叔丁基-2-羟基苯甲酸?
The molecular weight of 5-叔丁基-2-羟基苯甲酸 is 194.09 g/mol.
Where can I buy 5-叔丁基-2-羟基苯甲酸?
You can request a quote for 5-叔丁基-2-羟基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-叔丁基-2-羟基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-叔丁基-2-羟基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.