Methyl p-tert-butylbenzoate
TL;DR: Methyl p-tert-butylbenzoate (CAS 26537-19-9) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-tert-butylbenzoate
Also Known As: Methyl 4-tert-butylbenzoate, methyl 4-(tert-butyl)benzoate, Methyl p-tert-butylbenzoate, 4-Tert-butylbenzoic acid methyl ester, Benzoic acid, 4-(1,1-dimethylethyl)-, methyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 26537-19-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC |
| InChIKey | UPIJOAFHOIWPLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl p-tert-butylbenzoate (CAS 26537-19-9), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: methyl 4-tert-butylbenzoate.
Chemical Property Profile of Methyl p-tert-butylbenzoate
Property Insights of Methyl p-tert-butylbenzoate
The XLogP value of 4.0 indicates that Methyl p-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl p-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl p-tert-butylbenzoate has 0 hydrogen bond donor(s) and 2 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 p-tert-butylbenzoate?
The CAS number of Methyl p-tert-butylbenzoate is 26537-19-9.
What is the molecular formula of Methyl p-tert-butylbenzoate?
The molecular formula of Methyl p-tert-butylbenzoate is C12H16O2.
What is the molecular weight of Methyl p-tert-butylbenzoate?
The molecular weight of Methyl p-tert-butylbenzoate is 192.12 g/mol.
Where can I buy Methyl p-tert-butylbenzoate?
You can request a quote for Methyl p-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl p-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl p-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.