tert-Butyl 4-hydroxybenzoate
TL;DR: tert-Butyl 4-hydroxybenzoate (CAS 25804-49-3) 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.
tert-butyl 4-hydroxybenzoate
Also Known As: tert-Butyl 4-hydroxybenzoate, Tert-butyl-4-hydroxybenzoate, tert-Butyl p-hydroxybenzoate, tert-butyl4-hydroxybenzoate, Intermediates-ZCF02688
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 25804-49-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC=C(C=C1)O |
| InChIKey | WHWMOMRHHQLBQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 4-hydroxybenzoate (CAS 25804-49-3), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: tert-butyl 4-hydroxybenzoate.
Chemical Property Profile of tert-Butyl 4-hydroxybenzoate
Property Insights of tert-Butyl 4-hydroxybenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 4-hydroxybenzoate. With a topological polar surface area (TPSA) of 46.5 Ų, tert-Butyl 4-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 4-hydroxybenzoate has 1 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 tert-Butyl 4-hydroxybenzoate?
The CAS number of tert-Butyl 4-hydroxybenzoate is 25804-49-3.
What is the molecular formula of tert-Butyl 4-hydroxybenzoate?
The molecular formula of tert-Butyl 4-hydroxybenzoate is C11H14O3.
What is the molecular weight of tert-Butyl 4-hydroxybenzoate?
The molecular weight of tert-Butyl 4-hydroxybenzoate is 194.09 g/mol.
Where can I buy tert-Butyl 4-hydroxybenzoate?
You can request a quote for tert-Butyl 4-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 4-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 4-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.