4-Methyllumbelliferyl stearate
TL;DR: 4-Methyllumbelliferyl stearate (CAS 65609-28-1) is a chemical compound with molecular formula C28H42O4 and molecular weight 442.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) octadecanoate
Also Known As: 4-Methylumbelliferyl stearate, 4-Mubst, 4-Methyllumbelliferyl stearate, 4-Methylumbelliferylstearate, 4-methyl-2-oxo-2H-chromen-7-yl stearate
| Molecular Formula | C28H42O4 |
|---|---|
| Molecular Weight | 442.31 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 442.30832 |
| Heavy Atoms | 32 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 65609-28-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C |
| InChIKey | QOIJAZYHGUNKLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyllumbelliferyl stearate (CAS 65609-28-1), with molecular formula C28H42O4 and molecular weight 442.31 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) octadecanoate.
Chemical Property Profile of 4-Methyllumbelliferyl stearate
Property Insights of 4-Methyllumbelliferyl stearate
The XLogP value of 10.4 indicates that 4-Methyllumbelliferyl stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Methyllumbelliferyl stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyllumbelliferyl stearate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methyllumbelliferyl stearate?
The CAS number of 4-Methyllumbelliferyl stearate is 65609-28-1.
What is the molecular formula of 4-Methyllumbelliferyl stearate?
The molecular formula of 4-Methyllumbelliferyl stearate is C28H42O4.
What is the molecular weight of 4-Methyllumbelliferyl stearate?
The molecular weight of 4-Methyllumbelliferyl stearate is 442.31 g/mol.
Where can I buy 4-Methyllumbelliferyl stearate?
You can request a quote for 4-Methyllumbelliferyl stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyllumbelliferyl stearate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyllumbelliferyl stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.