![ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate structure](/static/products/121/1214117-43-7.webp)
ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate
TL;DR: ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate (CAS 1214117-43-7) is a chemical compound with molecular formula C22H24BrN3O7 and molecular weight 521.0798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[4-(4-bromoanilino)-4-oxobutanoyl]amino]-3-(4-methoxy-3-nitrophenyl)propanoate
Also Known As: BAS 00549595, ethyl 2-(4-((4-bromophenyl)amino)-4-oxobutanamido)-3-(4-methoxy-3-nitrophenyl)propanoate, ethyl 2-[[4-(4-bromoanilino)-4-oxobutanoyl]amino]-3-(4-methoxy-3-nitrophenyl)propanoate, ethyl 2-{[4-(4-bromoanilino)-4-oxobutanoyl]amino}-3-{3-nitro-4-methoxyphenyl}propanoate, ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate
Technical Specifications
| Molecular Formula | C22H24BrN3O7 |
| Molecular Weight | 521.0798 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 521.0798 Da |
| Heavy Atoms | 33 |
| Complexity | 679.0 |
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])NC(=O)CCC(=O)NC2=CC=C(C=C2)Br |
| InChIKey | XLOHEVNCOBGYFV-UHFFFAOYSA-N |
Chemical Property Profile of ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate
Property Insights of ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate
The XLogP value of 3.1 indicates that ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate?
The CAS number of ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate is 1214117-43-7.
What is the molecular formula of ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate?
The molecular formula of ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate is C22H24BrN3O7.
What is the molecular weight of ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate?
The molecular weight of ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate is 521.0798 g/mol.
Where can I buy ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate?
You can request a quote for ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate?
Yes, CoreyChem provides custom synthesis services for ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.