(S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid
TL;DR: (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid (CAS 956049-57-3) is a chemical compound with molecular formula C29H24N2O7 and molecular weight 512.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1H-indol-3-yl)-2-[[2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetyl]amino]propanoic acid
Also Known As: (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid, N-({[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetyl)-L-tryptophan, (2S)-3-(1H-indol-3-yl)-2-[[2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetyl]amino]propanoic acid
| Molecular Formula | C29H24N2O7 |
|---|---|
| Molecular Weight | 512.16 g/mol |
| LogP | 4.1408 |
| Topological Polar Surface Area | 130.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.1583 |
| Heavy Atoms | 38 |
| Complexity | 1685.4055 |
Chemical Identifiers
| CAS Number | 956049-57-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O |
Product Overview
(S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid (CAS 956049-57-3), with molecular formula C29H24N2O7 and molecular weight 512.16 g/mol. IUPAC: (2S)-3-(1H-indol-3-yl)-2-[[2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetyl]amino]propanoic acid.
Chemical Property Profile of (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid
Property Insights of (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid
The XLogP value of 4.1408 indicates that (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid. Following Lipinski's Rule of Five, (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid?
The CAS number of (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is 956049-57-3.
What is the molecular formula of (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid?
The molecular formula of (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is C29H24N2O7.
What is the molecular weight of (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid?
The molecular weight of (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid is 512.16 g/mol.
Where can I buy (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid?
You can request a quote for (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic 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-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(1H-indol-3-yl)-2-(2-((4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.