Methyl 4-(dodecyloxy)-benzoylacetate
TL;DR: Methyl 4-(dodecyloxy)-benzoylacetate (CAS 52244-86-7) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-dodecoxyphenyl)-3-oxopropanoate
Also Known As: METHYL 4-(DODECYLOXY)-BENZOYLACETATE, methyl 3-(4-dodecoxyphenyl)-3-oxopropanoate, Methyl 3-(4-dodecoxyphenyl)-3-oxo-propanoate
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 5.7321 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 507.37845 |
Chemical Identifiers
| CAS Number | 52244-86-7 |
|---|---|
| SMILES | CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)OC |
Product Overview
Methyl 4-(dodecyloxy)-benzoylacetate (CAS 52244-86-7), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: methyl 3-(4-dodecoxyphenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 4-(dodecyloxy)-benzoylacetate
Property Insights of Methyl 4-(dodecyloxy)-benzoylacetate
The XLogP value of 5.7321 indicates that Methyl 4-(dodecyloxy)-benzoylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 4-(dodecyloxy)-benzoylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(dodecyloxy)-benzoylacetate 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 Methyl 4-(dodecyloxy)-benzoylacetate?
The CAS number of Methyl 4-(dodecyloxy)-benzoylacetate is 52244-86-7.
What is the molecular formula of Methyl 4-(dodecyloxy)-benzoylacetate?
The molecular formula of Methyl 4-(dodecyloxy)-benzoylacetate is C22H34O4.
What is the molecular weight of Methyl 4-(dodecyloxy)-benzoylacetate?
The molecular weight of Methyl 4-(dodecyloxy)-benzoylacetate is 362.25 g/mol.
Where can I buy Methyl 4-(dodecyloxy)-benzoylacetate?
You can request a quote for Methyl 4-(dodecyloxy)-benzoylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(dodecyloxy)-benzoylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(dodecyloxy)-benzoylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.