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Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate
TL;DR: Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate (CAS 77547-02-5) 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.
ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate
Also Known As: ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate, ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]b
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 77547-02-5 |
|---|---|
| SMILES | CCOC(=O)CCCC1=CC=C(C=C1)C2(CC(=C)C(=O)O2)C |
| InChIKey | GLQLFZJKOPGPHL-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate (CAS 77547-02-5), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate.
Chemical Property Profile of Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate
Property Insights of Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate
The XLogP value of 3.3 indicates that Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate 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 Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate?
The CAS number of Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate is 77547-02-5.
What is the molecular formula of Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate?
The molecular formula of Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate is C18H22O4.
What is the molecular weight of Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate?
The molecular weight of Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate is 302.15 g/mol.
Where can I buy Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate?
You can request a quote for Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[4-(2-methyl-4-methylidene-5-oxooxolan-2-yl)phenyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.