Methyl di-t-butyl hydroxyhydrocinnamate
TL;DR: Methyl di-t-butyl hydroxyhydrocinnamate (CAS 6386-38-5) is a chemical compound with molecular formula C18H28O3 and molecular weight 292.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Also Known As: Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate, Metilox, methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate, PHENOSAN METHYL ESTER, METHYL3- PROPIONATE
| Molecular Formula | C18H28O3 |
|---|---|
| Molecular Weight | 292.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.20386 |
| Heavy Atoms | 21 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 6386-38-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC |
| InChIKey | PXMJCECEFTYEKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl di-t-butyl hydroxyhydrocinnamate (CAS 6386-38-5), with molecular formula C18H28O3 and molecular weight 292.20 g/mol. IUPAC: methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
Chemical Property Profile of Methyl di-t-butyl hydroxyhydrocinnamate
Property Insights of Methyl di-t-butyl hydroxyhydrocinnamate
The XLogP value of 5.0 indicates that Methyl di-t-butyl hydroxyhydrocinnamate 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 di-t-butyl hydroxyhydrocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl di-t-butyl hydroxyhydrocinnamate 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 di-t-butyl hydroxyhydrocinnamate?
The CAS number of Methyl di-t-butyl hydroxyhydrocinnamate is 6386-38-5.
What is the molecular formula of Methyl di-t-butyl hydroxyhydrocinnamate?
The molecular formula of Methyl di-t-butyl hydroxyhydrocinnamate is C18H28O3.
What is the molecular weight of Methyl di-t-butyl hydroxyhydrocinnamate?
The molecular weight of Methyl di-t-butyl hydroxyhydrocinnamate is 292.20 g/mol.
Where can I buy Methyl di-t-butyl hydroxyhydrocinnamate?
You can request a quote for Methyl di-t-butyl hydroxyhydrocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl di-t-butyl hydroxyhydrocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl di-t-butyl hydroxyhydrocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.