Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate
TL;DR: Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate (CAS 7280-77-5) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
Also Known As: methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate, methyl 3-(3-(tert-butyl)-4-hydroxy-5-methylphenyl)propanoate, Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, methyl ester, Methyl-3-(3-tert.-butyl-4-hydroxy-5-methylphenyl)propionat, Methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 7280-77-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC |
| InChIKey | FQCQJBVYSORVEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate (CAS 7280-77-5), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: methyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate.
Chemical Property Profile of Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate
Property Insights of Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate
The XLogP value of 3.7 indicates that Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate 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 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate?
The CAS number of Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate is 7280-77-5.
What is the molecular formula of Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate?
The molecular formula of Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate is C15H22O3.
What is the molecular weight of Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate?
The molecular weight of Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate is 250.16 g/mol.
Where can I buy Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate?
You can request a quote for Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.