Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate
TL;DR: Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate (CAS 36837-50-0) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
Also Known As: Methyl 3-(3-(tert-butyl)-4-hydroxyphenyl)propanoate, methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate, Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-, methyl ester, METHYL 3-(3-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE, J1.321.094B
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 2.7953 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 402.4186 |
Chemical Identifiers
| CAS Number | 36837-50-0 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=CC(=C1)CCC(=O)OC)O |
Product Overview
Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate (CAS 36837-50-0), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: methyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate.
Chemical Property Profile of Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate
Property Insights of Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate
The XLogP value of 2.7953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate 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-hydroxybenzenepropanoate?
The CAS number of Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate is 36837-50-0.
What is the molecular formula of Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate?
The molecular formula of Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate is C14H20O3.
What is the molecular weight of Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate?
The molecular weight of Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate is 236.14 g/mol.
Where can I buy Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate?
You can request a quote for Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate 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-hydroxybenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.