Thymol derivative
TL;DR: Thymol derivative (CAS 22518-07-6) is a chemical compound with molecular formula C19H26O5 and molecular weight 334.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbutanoate
Also Known As: Thymol derivative, MEGxp0_001145, ACon1_001251, HY-N6844, 8,9-epoxy-3-isobutyryloxy-10-(2-methylbutanoyl)thymol
| Molecular Formula | C19H26O5 |
|---|---|
| Molecular Weight | 334.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 334.178 |
| Heavy Atoms | 24 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 22518-07-6 |
|---|---|
| SMILES | CCC(C)C(=O)OCC1(CO1)C2=C(C=C(C=C2)C)OC(=O)C(C)C |
| InChIKey | DBEFONQGRSUFQO-UHFFFAOYSA-N |
Product Overview
Thymol derivative (CAS 22518-07-6), with molecular formula C19H26O5 and molecular weight 334.18 g/mol. IUPAC: [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylbutanoate.
Chemical Property Profile of Thymol derivative
Property Insights of Thymol derivative
The XLogP value of 3.7 indicates that Thymol derivative is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymol derivative. Following Lipinski's Rule of Five, Thymol derivative 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 derivative?
The CAS number of Thymol derivative is 22518-07-6.
What is the molecular formula of Thymol derivative?
The molecular formula of Thymol derivative is C19H26O5.
What is the molecular weight of Thymol derivative?
The molecular weight of Thymol derivative is 334.18 g/mol.
Where can I buy Thymol derivative?
You can request a quote for Thymol derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymol derivative?
Yes, KEHONG BIO provides custom synthesis services for Thymol derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.