3-叔丁基水杨酸
TL;DR: 3-叔丁基水杨酸 (CAS 16094-30-7) 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.
3-叔丁基水杨酸
3-tert-butyl-2-hydroxybenzoic acid
Also Known As: 3-tert-Butylsalicylic acid, 3-tert-butyl-2-hydroxybenzoic acid, 3-tert-butyl salicylic acid, 3-t-butylhydroxybenzoic acid, 3-tert-butyl-2-hydroxybenzoicacid
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 4.2 |
| 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 | 16094-30-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC(=C1O)C(=O)O |
| InChIKey | ZAAMQANODYDRDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-叔丁基水杨酸 (CAS 16094-30-7), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 3-tert-butyl-2-hydroxybenzoic acid.
Chemical Property Profile of 3-叔丁基水杨酸
Property Insights of 3-叔丁基水杨酸
The XLogP value of 4.2 indicates that 3-叔丁基水杨酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-叔丁基水杨酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-叔丁基水杨酸 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 3-叔丁基水杨酸?
The CAS number of 3-叔丁基水杨酸 is 16094-30-7.
What is the molecular formula of 3-叔丁基水杨酸?
The molecular formula of 3-叔丁基水杨酸 is C11H14O3.
What is the molecular weight of 3-叔丁基水杨酸?
The molecular weight of 3-叔丁基水杨酸 is 194.09 g/mol.
Where can I buy 3-叔丁基水杨酸?
You can request a quote for 3-叔丁基水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-叔丁基水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 3-叔丁基水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.