4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate
TL;DR: 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate (CAS 1040211-95-7) is a chemical compound with molecular formula C25H26ClNO6 and molecular weight 471.14487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-butyl-6-chloro-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate
Also Known As: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminobutanoate, (4-butyl-6-chloro-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate
Technical Specifications
| Molecular Formula | C25H26ClNO6 |
| Molecular Weight | 471.14487 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 471.14487 Da |
| Heavy Atoms | 33 |
| Complexity | 720.0 |
| SMILES | CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | PKNFJHIQCQMKHC-UHFFFAOYSA-N |
Chemical Property Profile of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate
Property Insights of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate
The XLogP value of 5.9 indicates that 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate 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 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate. Following Lipinski's Rule of Five, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate 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 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate?
The CAS number of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate is 1040211-95-7.
What is the molecular formula of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate?
The molecular formula of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate is C25H26ClNO6.
What is the molecular weight of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate?
The molecular weight of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate is 471.14487 g/mol.
Where can I buy 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate?
You can request a quote for 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate?
Yes, CoreyChem provides custom synthesis services for 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.