Thymol trimethoxycinnamate
TL;DR: Thymol trimethoxycinnamate (CAS 504394-57-4) is a chemical compound with molecular formula C22H26O5 and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylphenyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Also Known As: Melasolv, Thymol trimethoxycinnamate, thymyl 3,4,5-trimethoxycinnamate, J1.932.764G, 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, 5-methyl-2-(1-methylethyl)phenyl ester, (2E)-
| Molecular Formula | C22H26O5 |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 4.76302 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.178 |
| Heavy Atoms | 27 |
| Complexity | 811.58704 |
Chemical Identifiers
| CAS Number | 504394-57-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
Thymol trimethoxycinnamate (CAS 504394-57-4), with molecular formula C22H26O5 and molecular weight 370.18 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of Thymol trimethoxycinnamate
Property Insights of Thymol trimethoxycinnamate
The XLogP value of 4.76302 indicates that Thymol trimethoxycinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, Thymol trimethoxycinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thymol trimethoxycinnamate has 0 hydrogen bond donor(s) and 5 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 Thymol trimethoxycinnamate?
The CAS number of Thymol trimethoxycinnamate is 504394-57-4.
What is the molecular formula of Thymol trimethoxycinnamate?
The molecular formula of Thymol trimethoxycinnamate is C22H26O5.
What is the molecular weight of Thymol trimethoxycinnamate?
The molecular weight of Thymol trimethoxycinnamate is 370.18 g/mol.
Where can I buy Thymol trimethoxycinnamate?
You can request a quote for Thymol trimethoxycinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymol trimethoxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for Thymol trimethoxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.