3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate
TL;DR: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate (CAS 1396993-59-1) is a chemical compound with molecular formula C23H22ClNO6 and molecular weight 443.11356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-chloro-4-methyl-2-oxochromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate, (3-chloro-4-methyl-2-oxo-chromen-7-yl) 3-methyl-2-phenylmethoxycarbonylamino-butanoate, (3-chloro-4-methyl-2-oxochromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate, 2-BENZYLOXYCARBONYLAMINO-3-ME-BUTYRIC ACID 3-CL-4-ME-2-OXO-2H-CHROMEN-7-YL ESTER
Technical Specifications
| Molecular Formula | C23H22ClNO6 |
| Molecular Weight | 443.11356 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.11356 Da |
| Heavy Atoms | 31 |
| Complexity | 715.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)Cl |
| InChIKey | LLJRITVCYCZUAD-UHFFFAOYSA-N |
Chemical Property Profile of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate
Property Insights of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate
The XLogP value of 5.0 indicates that 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate 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-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate. Following Lipinski's Rule of Five, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate has 1 hydrogen bond donor(s) and 6 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-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate?
The CAS number of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate is 1396993-59-1.
What is the molecular formula of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate?
The molecular formula of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate is C23H22ClNO6.
What is the molecular weight of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate?
The molecular weight of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate is 443.11356 g/mol.
Where can I buy 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate?
You can request a quote for 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate?
Yes, CoreyChem provides custom synthesis services for 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.