5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid
TL;DR: 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid (CAS 181268-76-8) is a chemical compound with molecular formula C28H29NO4 and molecular weight 443.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyphenyl]but-2-enoic acid
Also Known As: Mpob-cinnamic acid, 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid, (Z)-3-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyphenyl]but-2-enoic acid, (Z)-3-[3-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyphenyl]but-2-enoic acid, 2-Butenoic acid, 3-(3-(2-(methyl(2-phenylethyl)amino)-2-oxoethyl)-5-(phenylmethoxy)phenyl)-, (Z)-
| Molecular Formula | C28H29NO4 |
|---|---|
| Molecular Weight | 443.21 g/mol |
| LogP | 4.9971 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 443.20966 |
| Heavy Atoms | 33 |
| Complexity | 1107.256 |
Chemical Identifiers
| CAS Number | 181268-76-8 |
|---|---|
| SMILES | C/C(=C/C(=O)O)/C1=CC(=CC(=C1)CC(=O)N(C)CCC2=CC=CC=C2)OCC3=CC=CC=C3 |
Product Overview
5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid (CAS 181268-76-8), with molecular formula C28H29NO4 and molecular weight 443.21 g/mol. IUPAC: (Z)-3-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyphenyl]but-2-enoic acid.
Chemical Property Profile of 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid
Property Insights of 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid
The XLogP value of 4.9971 indicates that 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid. Following Lipinski's Rule of Five, 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid has 1 hydrogen bond donor(s) and 3 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 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid?
The CAS number of 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid is 181268-76-8.
What is the molecular formula of 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid?
The molecular formula of 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid is C28H29NO4.
What is the molecular weight of 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid?
The molecular weight of 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid is 443.21 g/mol.
Where can I buy 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid?
You can request a quote for 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-(Methyl(2-phenethyl)amino)-2-oxoethyl)-2-(benzyloxy)cinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.