3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate
TL;DR: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate (CAS 1396999-01-1) is a chemical compound with molecular formula C21H18ClNO6 and molecular weight 415.08228 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) 2-(phenylmethoxycarbonylamino)propanoate
Also Known As: 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate, (3-chloro-4-methyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate
Technical Specifications
| Molecular Formula | C21H18ClNO6 |
| Molecular Weight | 415.08228 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.08228 Da |
| Heavy Atoms | 29 |
| Complexity | 672.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C(C)NC(=O)OCC3=CC=CC=C3)Cl |
| InChIKey | ZNLQDCLZFJJNJS-UHFFFAOYSA-N |
Chemical Property Profile of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate
Property Insights of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate
The XLogP value of 4.1 indicates that 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)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-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate. Following Lipinski's Rule of Five, 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate 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)propanoate?
The CAS number of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate is 1396999-01-1.
What is the molecular formula of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
The molecular formula of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate is C21H18ClNO6.
What is the molecular weight of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
The molecular weight of 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate is 415.08228 g/mol.
Where can I buy 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
You can request a quote for 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate 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)propanoate?
Yes, CoreyChem provides custom synthesis services for 3-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.