(S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid
TL;DR: (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid (CAS 1600499-51-1) is a chemical compound with molecular formula C23H28N2O7 and molecular weight 444.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-[2-(3-hydroxy-4-methoxyphenyl)ethylamino]-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid
| Molecular Formula | C23H28N2O7 |
|---|---|
| Molecular Weight | 444.19 g/mol |
| LogP | 1.2767 |
| Topological Polar Surface Area | 134.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 444.18964 |
| Heavy Atoms | 32 |
| Complexity | 917.81586 |
Chemical Identifiers
| CAS Number | 1600499-51-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN[C@H](CC(=O)O)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC)O |
Product Overview
(S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid (CAS 1600499-51-1), with molecular formula C23H28N2O7 and molecular weight 444.19 g/mol. IUPAC: (3R)-3-[2-(3-hydroxy-4-methoxyphenyl)ethylamino]-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid
Property Insights of (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid
The XLogP value of 1.2767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid. The TPSA of 134.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid has 4 hydrogen bond donor(s) and 7 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 (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid?
The CAS number of (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid is 1600499-51-1.
What is the molecular formula of (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid?
The molecular formula of (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid is C23H28N2O7.
What is the molecular weight of (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid?
The molecular weight of (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid is 444.19 g/mol.
Where can I buy (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid?
You can request a quote for (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-((3-Hydroxy-4-methoxyphenethyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.