Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester
TL;DR: Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester (CAS 15911-81-6) is a chemical compound with molecular formula C36H51N3O7 and molecular weight 637.3727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[2-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]carbamate
Also Known As: NCI60_000299, (S)-2-aminopentanoic acid tert-butyl ester, Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester, tert-Butyl 2-oxo-2-(6',7',10,11-tetramethoxyemetan-2'-yl)ethylcarbamate, tert-butyl[2-oxo-2-(6',7',10,11-tetramethoxyemetan-2'-yl)ethyl]carbamate
Technical Specifications
| Molecular Formula | C36H51N3O7 |
| Molecular Weight | 637.3727 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 98.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 637.3727 Da |
| Heavy Atoms | 46 |
| Complexity | 1020.0 |
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)CNC(=O)OC(C)(C)C)OC)OC)OC)OC |
| InChIKey | AVDIGXKFDNTSGD-UHFFFAOYSA-N |
Chemical Property Profile of Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester
Property Insights of Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester
The XLogP value of 5.4 indicates that Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester. Following Lipinski's Rule of Five, Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester?
The CAS number of Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester is 15911-81-6.
What is the molecular formula of Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester?
The molecular formula of Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester is C36H51N3O7.
What is the molecular weight of Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester?
The molecular weight of Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester is 637.3727 g/mol.
Where can I buy Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester?
You can request a quote for Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester?
Yes, CoreyChem provides custom synthesis services for Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.