Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester
TL;DR: Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester (CAS 117196-96-0) is a chemical compound with molecular formula C17H19BrN2O4S and molecular weight 426.0249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S)-2-[[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]-4-methylsulfanylbutanoate
Also Known As: Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester, N-(5-Bromoindol-3-ylglyoxylyl)methionine ethyl ester, N-((5-Bromo-1H-indol-3-yl)oxoacetyl)methionine ethyl ester, DL-Methionine, N-((5-bromo-1H-indol-3-yl)oxoacetyl)-, ethyl ester, Ethyl N-[(5-bromo-1H-indol-3-yl)(oxo)acetyl]-L-methioninate
Technical Specifications
| Molecular Formula | C17H19BrN2O4S |
| Molecular Weight | 426.0249 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 426.0249 Da |
| Heavy Atoms | 25 |
| Complexity | 505.0 |
| SMILES | CCOC(=O)[C@H](CCSC)NC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Br |
| InChIKey | HRJPBYFUNBOTLJ-AWEZNQCLSA-N |
Chemical Property Profile of Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester
Property Insights of Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester
The XLogP value of 3.2 indicates that Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester. Following Lipinski's Rule of Five, Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester?
The CAS number of Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester is 117196-96-0.
What is the molecular formula of Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester?
The molecular formula of Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester is C17H19BrN2O4S.
What is the molecular weight of Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester?
The molecular weight of Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester is 426.0249 g/mol.
Where can I buy Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester?
You can request a quote for Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Methionine, N-((5-bromo-3-indolyl)oxalyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.