(S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate
TL;DR: (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate (CAS 956240-96-3) is a chemical compound with molecular formula C22H20ClNO6 and molecular weight 429.0979 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-chloro-4-ethyl-2-oxochromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate, (6-chloro-4-ethyl-2-oxo-chromen-7-yl) 2-phenylmethoxycarbonylaminopropanoate, (6-chloro-4-ethyl-2-oxochromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate, 6-CHLORO-4-ETHYL-2-OXO-2H-CHROMEN-7-YL 2-{[(BENZYLOXY)CARBONYL]AMINO}PROPANOATE, 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-L-alaninate
Technical Specifications
| Molecular Formula | C22H20ClNO6 |
| Molecular Weight | 429.0979 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.0979 Da |
| Heavy Atoms | 30 |
| Complexity | 675.0 |
| SMILES | CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | RJFDXCUONBRXBN-ZDUSSCGKSA-N |
Chemical Property Profile of (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate
Property Insights of (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate
The XLogP value of 4.3 indicates that (S)-6-chloro-4-ethyl-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 (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate. Following Lipinski's Rule of Five, (S)-6-chloro-4-ethyl-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 (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
The CAS number of (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate is 956240-96-3.
What is the molecular formula of (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
The molecular formula of (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate is C22H20ClNO6.
What is the molecular weight of (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
The molecular weight of (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate is 429.0979 g/mol.
Where can I buy (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
You can request a quote for (S)-6-chloro-4-ethyl-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 (S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate?
Yes, CoreyChem provides custom synthesis services for (S)-6-chloro-4-ethyl-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.