N-Succinimidyl ((bromoacetyl)amino)benzoate
TL;DR: N-Succinimidyl ((bromoacetyl)amino)benzoate (CAS 94987-16-3) is a chemical compound with molecular formula C13H11BrN2O5 and molecular weight 353.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxopyrrolidin-1-yl) 4-[(2-bromoacetyl)amino]benzoate
Also Known As: SBrAB, N-Succinimidyl ((bromoacetyl)amino)benzoate, N-succinimidyl-(4-bromoacetamido)benzoate, (2,5-dioxopyrrolidin-1-yl) 4-[(2-bromoacetyl)amino]benzoate, (2,5-dioxopyrrolidin-1-yl) 2-((2-bromoacetyl)amino)benzoate
| Molecular Formula | C13H11BrN2O5 |
|---|---|
| Molecular Weight | 353.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.98514 |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 94987-16-3 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)NC(=O)CBr |
| InChIKey | HILSSQSNVVIMJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Succinimidyl ((bromoacetyl)amino)benzoate (CAS 94987-16-3), with molecular formula C13H11BrN2O5 and molecular weight 353.99 g/mol. IUPAC: (2,5-dioxopyrrolidin-1-yl) 4-[(2-bromoacetyl)amino]benzoate.
Chemical Property Profile of N-Succinimidyl ((bromoacetyl)amino)benzoate
Property Insights of N-Succinimidyl ((bromoacetyl)amino)benzoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Succinimidyl ((bromoacetyl)amino)benzoate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Succinimidyl ((bromoacetyl)amino)benzoate. Following Lipinski's Rule of Five, N-Succinimidyl ((bromoacetyl)amino)benzoate 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
Frequently Asked Questions
What is the CAS number of N-Succinimidyl ((bromoacetyl)amino)benzoate?
The CAS number of N-Succinimidyl ((bromoacetyl)amino)benzoate is 94987-16-3.
What is the molecular formula of N-Succinimidyl ((bromoacetyl)amino)benzoate?
The molecular formula of N-Succinimidyl ((bromoacetyl)amino)benzoate is C13H11BrN2O5.
What is the molecular weight of N-Succinimidyl ((bromoacetyl)amino)benzoate?
The molecular weight of N-Succinimidyl ((bromoacetyl)amino)benzoate is 353.99 g/mol.
Where can I buy N-Succinimidyl ((bromoacetyl)amino)benzoate?
You can request a quote for N-Succinimidyl ((bromoacetyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Succinimidyl ((bromoacetyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for N-Succinimidyl ((bromoacetyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.