6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate
TL;DR: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate (CAS 1396988-74-1) is a chemical compound with molecular formula C21H26ClNO6 and molecular weight 423.14487 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) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Also Known As: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-methylpentanoate, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 2-[(tert-butoxycarbonyl)amino]-3-methylpentanoate, (6-chloro-4-methyl-2-oxochromen-7-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Technical Specifications
| Molecular Formula | C21H26ClNO6 |
| Molecular Weight | 423.14487 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.14487 Da |
| Heavy Atoms | 29 |
| Complexity | 671.0 |
| SMILES | CCC(C)C(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C)Cl)NC(=O)OC(C)(C)C |
| InChIKey | YGGFYRCZFMDULE-UHFFFAOYSA-N |
Chemical Property Profile of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate
Property Insights of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate
The XLogP value of 4.7 indicates that 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate 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-(tert-butoxycarbonyl)isoleucinate. Following Lipinski's Rule of Five, 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate 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-(tert-butoxycarbonyl)isoleucinate?
The CAS number of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate is 1396988-74-1.
What is the molecular formula of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate?
The molecular formula of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate is C21H26ClNO6.
What is the molecular weight of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate?
The molecular weight of 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate is 423.14487 g/mol.
Where can I buy 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate?
You can request a quote for 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate 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-(tert-butoxycarbonyl)isoleucinate?
Yes, CoreyChem provides custom synthesis services for 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.