(S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate
TL;DR: (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate (CAS 243657-80-9) is a chemical compound with molecular formula C31H31NO9 and molecular weight 561.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
Also Known As: (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate, [5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
| Molecular Formula | C31H31NO9 |
|---|---|
| Molecular Weight | 561.20 g/mol |
| LogP | 5.64932 |
| Topological Polar Surface Area | 133.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 561.1999 |
| Heavy Atoms | 41 |
| Complexity | 1603.704 |
Chemical Identifiers
| CAS Number | 243657-80-9 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C=C(C=C2O1)OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)OC4=CC=C(C=C4)OC |
Product Overview
(S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate (CAS 243657-80-9), with molecular formula C31H31NO9 and molecular weight 561.20 g/mol. IUPAC: [5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate.
Chemical Property Profile of (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate
Property Insights of (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate
The XLogP value of 5.64932 indicates that (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate. Following Lipinski's Rule of Five, (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
The CAS number of (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate is 243657-80-9.
What is the molecular formula of (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
The molecular formula of (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate is C31H31NO9.
What is the molecular weight of (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
The molecular weight of (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate is 561.20 g/mol.
Where can I buy (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
You can request a quote for (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-5-hydroxy-3-(4-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.