4-Methylumbelliferyl heptanoate
TL;DR: 4-Methylumbelliferyl heptanoate (CAS 18319-92-1) is a chemical compound with molecular formula C17H20O4 and molecular weight 288.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) heptanoate
Also Known As: 4-Methylumbelliferyl heptanoate, 4-methyl-2-oxo-2h-chromen-7-yl heptanoate, (4-methyl-2-oxochromen-7-yl) heptanoate, L-PCA-NA, 4-methylumbelliferone heptanoate
| Molecular Formula | C17H20O4 |
|---|---|
| Molecular Weight | 288.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.13617 |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 18319-92-1 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C |
| InChIKey | FFNBFZWIBOIPIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylumbelliferyl heptanoate (CAS 18319-92-1), with molecular formula C17H20O4 and molecular weight 288.14 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) heptanoate.
Chemical Property Profile of 4-Methylumbelliferyl heptanoate
Property Insights of 4-Methylumbelliferyl heptanoate
The XLogP value of 4.5 indicates that 4-Methylumbelliferyl heptanoate 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-Methylumbelliferyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylumbelliferyl heptanoate has 0 hydrogen bond donor(s) and 4 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 4-Methylumbelliferyl heptanoate?
The CAS number of 4-Methylumbelliferyl heptanoate is 18319-92-1.
What is the molecular formula of 4-Methylumbelliferyl heptanoate?
The molecular formula of 4-Methylumbelliferyl heptanoate is C17H20O4.
What is the molecular weight of 4-Methylumbelliferyl heptanoate?
The molecular weight of 4-Methylumbelliferyl heptanoate is 288.14 g/mol.
Where can I buy 4-Methylumbelliferyl heptanoate?
You can request a quote for 4-Methylumbelliferyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylumbelliferyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylumbelliferyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.