Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate
TL;DR: Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate (CAS 52244-81-2) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-hexadecoxyphenyl)-3-oxopropanoate
Also Known As: Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate, methyl3-[p- phenyl]-3-oxopropionate, methyl 3-[4-(hexadecyloxy)phenyl]-3-oxopropanoate, methyl 3-[p-(hexadecyloxy)phenyl]-3-oxopropionate, methyl 3-(4-hexadecoxyphenyl)-3-oxopropanoate
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 52244-81-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)OC |
| InChIKey | HQLVFFFDPGVGHG-UHFFFAOYSA-N |
Product Overview
Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate (CAS 52244-81-2), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: methyl 3-(4-hexadecoxyphenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate
Property Insights of Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate
The XLogP value of 9.3 indicates that Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate 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 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate 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 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate?
The CAS number of Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate is 52244-81-2.
What is the molecular formula of Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate?
The molecular formula of Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate is C26H42O4.
What is the molecular weight of Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate?
The molecular weight of Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate is 418.31 g/mol.
Where can I buy Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate?
You can request a quote for Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.