Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester
TL;DR: Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester (CAS 152-15-8) is a chemical compound with molecular formula C12H13BrN2O5 and molecular weight 344.0008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl) 2-[(2-bromoacetyl)amino]-2-methylpropanoate
Also Known As: 4-nitrophenyl n-(bromoacetyl)-2-methylalaninate, Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester, (4-nitrophenyl) 2-[(2-bromoacetyl)amino]-2-methylpropanoate, NSC 67937
Technical Specifications
| Molecular Formula | C12H13BrN2O5 |
| Molecular Weight | 344.0008 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.0008 Da |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
| SMILES | CC(C)(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CBr |
| InChIKey | VTKZIHPOQVIAAC-UHFFFAOYSA-N |
Chemical Property Profile of Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester
Property Insights of Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester. Following Lipinski's Rule of Five, Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester has 1 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 Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester?
The CAS number of Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester is 152-15-8.
What is the molecular formula of Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester?
The molecular formula of Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester is C12H13BrN2O5.
What is the molecular weight of Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester?
The molecular weight of Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester is 344.0008 g/mol.
Where can I buy Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester?
You can request a quote for Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester?
Yes, CoreyChem provides custom synthesis services for Alanine, N-(bromoacetyl)-2-methyl-, p-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.