(S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
TL;DR: (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate (CAS 956049-80-2) is a chemical compound with molecular formula C32H30N2O7 and molecular weight 554.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methoxyphenyl)-2-oxochromen-7-yl] (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate, [4-(4-methoxyphenyl)-2-oxochromen-7-yl] (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C32H30N2O7 |
|---|---|
| Molecular Weight | 554.21 g/mol |
| LogP | 5.9913 |
| Topological Polar Surface Area | 119.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.2053 |
| Heavy Atoms | 41 |
| Complexity | 1778.5114 |
Chemical Identifiers
| CAS Number | 956049-80-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=C(C=C5)OC |
Product Overview
(S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate (CAS 956049-80-2), with molecular formula C32H30N2O7 and molecular weight 554.21 g/mol. IUPAC: [4-(4-methoxyphenyl)-2-oxochromen-7-yl] (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
Property Insights of (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate
The XLogP value of 5.9913 indicates that (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The CAS number of (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is 956049-80-2.
What is the molecular formula of (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular formula of (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is C32H30N2O7.
What is the molecular weight of (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
The molecular weight of (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate is 554.21 g/mol.
Where can I buy (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
You can request a quote for (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.