![Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate structure](/static/products/103/103036-55-1.png)
Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate
TL;DR: Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate (CAS 103036-55-1) is a chemical compound with molecular formula C27H44O5 and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-hexadecoxy-3-methoxyphenyl)-3-oxopropanoate
Also Known As: methyl 2-(4-hexadecyloxy-3-methoxybenzoyl)acetate, methyl 3-(4-hexadecoxy-3-methoxyphenyl)-3-oxopropanoate, Methyl 3-(4-hexadecoxy-3-methoxy-phenyl)-3-oxo-propanoate, methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate
| Molecular Formula | C27H44O5 |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 7.3011 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 448.31888 |
| Heavy Atoms | 32 |
| Complexity | 640.9339 |
Chemical Identifiers
| CAS Number | 103036-55-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)CC(=O)OC)OC |
Product Overview
Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate (CAS 103036-55-1), with molecular formula C27H44O5 and molecular weight 448.32 g/mol. IUPAC: methyl 3-(4-hexadecoxy-3-methoxyphenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate
Property Insights of Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate
The XLogP value of 7.3011 indicates that Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate. Following Lipinski's Rule of Five, Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate has 0 hydrogen bond donor(s) and 5 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-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate?
The CAS number of Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate is 103036-55-1.
What is the molecular formula of Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate?
The molecular formula of Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate is C27H44O5.
What is the molecular weight of Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate?
The molecular weight of Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate is 448.32 g/mol.
Where can I buy Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate?
You can request a quote for Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[4-(hexadecyloxy)-3-methoxyphenyl]-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.