![6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate structure](/static/products/139/1396988-15-0.webp)
6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate
TL;DR: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate (CAS 1396988-15-0) 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.
(6-chloro-4-methyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate
Also Known As: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate, (6-chloro-4-methyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)propanoate, 6-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 | 3.8 |
| 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 | 660.0 |
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | XIFLXCNHIGUAIM-UHFFFAOYSA-N |
Chemical Property Profile of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate
Property Insights of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate
The XLogP value of 3.8 indicates that 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate 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 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate. Following Lipinski's Rule of Five, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate 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 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate?
The CAS number of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate is 1396988-15-0.
What is the molecular formula of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate?
The molecular formula of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate is C21H18ClNO6.
What is the molecular weight of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate?
The molecular weight of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate is 415.08228 g/mol.
Where can I buy 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate?
You can request a quote for 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate?
Yes, CoreyChem provides custom synthesis services for 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.