4-Methylumbelliferyl caprylate
TL;DR: 4-Methylumbelliferyl caprylate (CAS 20671-66-3) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) octanoate
Also Known As: 4-Methylumbelliferyl caprylate, 4-Methylumbelliferyl octanoate, MUCAP, 4-methyl-2-oxo-2H-chromen-7-yl octanoate, (4-methyl-2-oxochromen-7-yl) octanoate
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 4.36732 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 699.7896 |
Chemical Identifiers
| CAS Number | 20671-66-3 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C |
Product Overview
4-Methylumbelliferyl caprylate (CAS 20671-66-3), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) octanoate.
Chemical Property Profile of 4-Methylumbelliferyl caprylate
Property Insights of 4-Methylumbelliferyl caprylate
The XLogP value of 4.36732 indicates that 4-Methylumbelliferyl caprylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 4-Methylumbelliferyl caprylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylumbelliferyl caprylate 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 caprylate?
The CAS number of 4-Methylumbelliferyl caprylate is 20671-66-3.
What is the molecular formula of 4-Methylumbelliferyl caprylate?
The molecular formula of 4-Methylumbelliferyl caprylate is C18H22O4.
What is the molecular weight of 4-Methylumbelliferyl caprylate?
The molecular weight of 4-Methylumbelliferyl caprylate is 302.15 g/mol.
Where can I buy 4-Methylumbelliferyl caprylate?
You can request a quote for 4-Methylumbelliferyl caprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylumbelliferyl caprylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylumbelliferyl caprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.