Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate
TL;DR: Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate (CAS 54002-33-4) is a chemical compound with molecular formula C10H9BrN2O5 and molecular weight 315.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetamido-3-bromo-2-nitrobenzoate
Also Known As: methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate, BIM-0037628.P001, methyl 5-acetamido-3-bromo-2-nitrobenzoate, benzoic acid, 5-(acetylamino)-3-bromo-2-nitro-, methyl ester
| Molecular Formula | C10H9BrN2O5 |
|---|---|
| Molecular Weight | 315.97 g/mol |
| LogP | 2.1023 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.96948 |
| Heavy Atoms | 18 |
| Complexity | 529.2445 |
Chemical Identifiers
| CAS Number | 54002-33-4 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C(=C1)Br)[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate (CAS 54002-33-4), with molecular formula C10H9BrN2O5 and molecular weight 315.97 g/mol. IUPAC: methyl 5-acetamido-3-bromo-2-nitrobenzoate.
Chemical Property Profile of Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate
Property Insights of Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate
The XLogP value of 2.1023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate 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 Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate?
The CAS number of Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate is 54002-33-4.
What is the molecular formula of Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate?
The molecular formula of Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate is C10H9BrN2O5.
What is the molecular weight of Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate?
The molecular weight of Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate is 315.97 g/mol.
Where can I buy Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate?
You can request a quote for Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(acetylamino)-3-bromo-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.