5-Methyl-2-(1-methylethyl)phenyl palmitate
TL;DR: 5-Methyl-2-(1-methylethyl)phenyl palmitate (CAS 6550-46-5) is a chemical compound with molecular formula C26H44O2 and molecular weight 388.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylphenyl) hexadecanoate
Also Known As: thymol palmitate, 5-Methyl-2-(1-methylethyl)phenyl palmitate, 2-isopropyl-5-methylphenyl palmitate, (5-methyl-2-propan-2-ylphenyl) hexadecanoate, 5-methyl-2-(propan-2-yl)phenyl hexadecanoate
| Molecular Formula | C26H44O2 |
|---|---|
| Molecular Weight | 388.33 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 388.33414 |
| Heavy Atoms | 28 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 6550-46-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1=C(C=CC(=C1)C)C(C)C |
| InChIKey | ZAYCLSYLSAJBBX-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-(1-methylethyl)phenyl palmitate (CAS 6550-46-5), with molecular formula C26H44O2 and molecular weight 388.33 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) hexadecanoate.
Chemical Property Profile of 5-Methyl-2-(1-methylethyl)phenyl palmitate
Property Insights of 5-Methyl-2-(1-methylethyl)phenyl palmitate
The XLogP value of 10.3 indicates that 5-Methyl-2-(1-methylethyl)phenyl palmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Methyl-2-(1-methylethyl)phenyl palmitate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(1-methylethyl)phenyl palmitate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Methyl-2-(1-methylethyl)phenyl palmitate?
The CAS number of 5-Methyl-2-(1-methylethyl)phenyl palmitate is 6550-46-5.
What is the molecular formula of 5-Methyl-2-(1-methylethyl)phenyl palmitate?
The molecular formula of 5-Methyl-2-(1-methylethyl)phenyl palmitate is C26H44O2.
What is the molecular weight of 5-Methyl-2-(1-methylethyl)phenyl palmitate?
The molecular weight of 5-Methyl-2-(1-methylethyl)phenyl palmitate is 388.33 g/mol.
Where can I buy 5-Methyl-2-(1-methylethyl)phenyl palmitate?
You can request a quote for 5-Methyl-2-(1-methylethyl)phenyl palmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(1-methylethyl)phenyl palmitate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(1-methylethyl)phenyl palmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.