(S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate
TL;DR: (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate (CAS 956045-17-3) is a chemical compound with molecular formula C25H27NO7 and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate, 4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-L-alaninate, [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C25H27NO7 |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 4.59562 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.17874 |
| Heavy Atoms | 33 |
| Complexity | 1236.5756 |
Chemical Identifiers
| CAS Number | 956045-17-3 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OC(=O)[C@H](C)NC(=O)OC(C)(C)C |
Product Overview
(S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate (CAS 956045-17-3), with molecular formula C25H27NO7 and molecular weight 453.18 g/mol. IUPAC: [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate
Property Insights of (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate
The XLogP value of 4.59562 indicates that (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate. Following Lipinski's Rule of Five, (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate has 1 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)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The CAS number of (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is 956045-17-3.
What is the molecular formula of (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The molecular formula of (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is C25H27NO7.
What is the molecular weight of (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The molecular weight of (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is 453.18 g/mol.
Where can I buy (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
You can request a quote for (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)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)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.