Methyl 5-tert-butyl-2-hydroxybenzoate
TL;DR: Methyl 5-tert-butyl-2-hydroxybenzoate (CAS 52888-72-9) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-tert-butyl-2-hydroxybenzoate
Also Known As: methyl 5-tert-butyl-2-hydroxybenzoate, methyl 5-(tert-butyl)-2-hydroxybenzoate, 5-(tert-butyl)-2-hydroxybenzoic acid methyl ester, methyl 5-tert-butyl-2-hydroxy-benzoate, Methyl5-(tert-butyl)-2-hydroxybenzoate
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.4763 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 374.94388 |
Chemical Identifiers
| CAS Number | 52888-72-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)C(=O)OC |
Product Overview
Methyl 5-tert-butyl-2-hydroxybenzoate (CAS 52888-72-9), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: methyl 5-tert-butyl-2-hydroxybenzoate.
Chemical Property Profile of Methyl 5-tert-butyl-2-hydroxybenzoate
Property Insights of Methyl 5-tert-butyl-2-hydroxybenzoate
The XLogP value of 2.4763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-tert-butyl-2-hydroxybenzoate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 5-tert-butyl-2-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-tert-butyl-2-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 Methyl 5-tert-butyl-2-hydroxybenzoate?
The CAS number of Methyl 5-tert-butyl-2-hydroxybenzoate is 52888-72-9.
What is the molecular formula of Methyl 5-tert-butyl-2-hydroxybenzoate?
The molecular formula of Methyl 5-tert-butyl-2-hydroxybenzoate is C12H16O3.
What is the molecular weight of Methyl 5-tert-butyl-2-hydroxybenzoate?
The molecular weight of Methyl 5-tert-butyl-2-hydroxybenzoate is 208.11 g/mol.
Where can I buy Methyl 5-tert-butyl-2-hydroxybenzoate?
You can request a quote for Methyl 5-tert-butyl-2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-tert-butyl-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-tert-butyl-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.