3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate
TL;DR: 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate (CAS 1396971-53-1) is a chemical compound with molecular formula C24H24ClNO6 and molecular weight 457.1292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate, 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)alaninate, [3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Technical Specifications
| Molecular Formula | C24H24ClNO6 |
| Molecular Weight | 457.1292 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.1292 Da |
| Heavy Atoms | 32 |
| Complexity | 765.0 |
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)NC(=O)OC(C)(C)C)C3=CC=C(C=C3)Cl |
| InChIKey | UFUUTPLMWAKRBF-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate
Property Insights of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate
The XLogP value of 5.1 indicates that 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The CAS number of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is 1396971-53-1.
What is the molecular formula of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The molecular formula of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is C24H24ClNO6.
What is the molecular weight of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
The molecular weight of 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate is 457.1292 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
You can request a quote for 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate?
Yes, CoreyChem provides custom synthesis services for 3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.