methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate
TL;DR: methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate (CAS 1396994-30-1) is a chemical compound with molecular formula C27H29NO9 and molecular weight 511.18423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[7-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxy-4-oxochromen-3-yl]oxybenzoate
Also Known As: methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate, methyl 4-[7-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxy-4-oxochromen-3-yl]oxybenzoate, methyl 4-({7-[(2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoyl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate, methyl 4-{[7-({2-[(tert-butoxycarbonyl)amino]-3-methylbutanoyl}oxy)-4-oxo-4H-chromen-3-yl]oxy}benzoate
Technical Specifications
| Molecular Formula | C27H29NO9 |
| Molecular Weight | 511.18423 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 511.18423 Da |
| Heavy Atoms | 37 |
| Complexity | 883.0 |
| SMILES | CC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)OC)NC(=O)OC(C)(C)C |
| InChIKey | KJKFXXMBGHAPJS-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate
Property Insights of methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate
The XLogP value of 5.0 indicates that methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate. Following Lipinski's Rule of Five, methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate?
The CAS number of methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate is 1396994-30-1.
What is the molecular formula of methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate?
The molecular formula of methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate is C27H29NO9.
What is the molecular weight of methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate?
The molecular weight of methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate is 511.18423 g/mol.
Where can I buy methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate?
You can request a quote for methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-((7-((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.