3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate
TL;DR: 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate (CAS 1396971-25-7) is a chemical compound with molecular formula C25H26N2O8 and molecular weight 482.1689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-nitrophenyl)-4-oxochromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate, 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate, [3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, [3-(4-nitrophenyl)-4-oxochromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Technical Specifications
| Molecular Formula | C25H26N2O8 |
| Molecular Weight | 482.1689 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.1689 Da |
| Heavy Atoms | 35 |
| Complexity | 849.0 |
| SMILES | CC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C |
| InChIKey | LAUMAPRSWPCLLA-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate
Property Insights of 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate
The XLogP value of 4.9 indicates that 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 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate. Following Lipinski's Rule of Five, 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate?
The CAS number of 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate is 1396971-25-7.
What is the molecular formula of 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate?
The molecular formula of 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate is C25H26N2O8.
What is the molecular weight of 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate?
The molecular weight of 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate is 482.1689 g/mol.
Where can I buy 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate?
You can request a quote for 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 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)valinate?
Yes, CoreyChem provides custom synthesis services for 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.