Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate
TL;DR: Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate (CAS 478063-92-2) 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-(4-tert-butyl-3-hydroxyphenyl)propanoate
Also Known As: methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate, methyl 3-[4-(tert-butyl)-3-hydroxyphenyl]propanoate, 6R-0044, methyl3-(4-tert-butyl-3-hydroxyphenyl)propanoate, methyl 3-(4-tert-butyl-3-hydroxy-phenyl)propanoate
| 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 | 478063-92-2 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)CCC(=O)OC)O |
Product Overview
Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate (CAS 478063-92-2), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate.
Chemical Property Profile of Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate
Property Insights of Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate
The XLogP value of 2.7953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate 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-(4-tert-butyl-3-hydroxyphenyl)propanoate?
The CAS number of Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate is 478063-92-2.
What is the molecular formula of Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate?
The molecular formula of Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate is C14H20O3.
What is the molecular weight of Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate?
The molecular weight of Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate is 236.14 g/mol.
Where can I buy Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate?
You can request a quote for Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-tert-butyl-3-hydroxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.