2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate
TL;DR: 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate (CAS 1396969-36-0) is a chemical compound with molecular formula C26H28N2O8 and molecular weight 496.18457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate, [2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate, 2-tert-Butoxycarbonylamino-3-methyl-butyric acid 2-methyl-3-(4-nitro-phenyl)-4-oxo-4H-chromen-7-yl ester
Technical Specifications
| Molecular Formula | C26H28N2O8 |
| Molecular Weight | 496.18457 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.18457 Da |
| Heavy Atoms | 36 |
| Complexity | 893.0 |
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C(C)C)NC(=O)OC(C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | GQZKGYOUCNWEFN-UHFFFAOYSA-N |
Chemical Property Profile of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate
Property Insights of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate
The XLogP value of 5.2 indicates that 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate. Following Lipinski's Rule of Five, 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate?
The CAS number of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate is 1396969-36-0.
What is the molecular formula of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate?
The molecular formula of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate is C26H28N2O8.
What is the molecular weight of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate?
The molecular weight of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate is 496.18457 g/mol.
Where can I buy 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate?
You can request a quote for 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate?
Yes, CoreyChem provides custom synthesis services for 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.