Methyl 2-(nitroacetyl)benzoate
TL;DR: Methyl 2-(nitroacetyl)benzoate (CAS 54519-55-0) is a chemical compound with molecular formula C10H9NO5 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-nitroacetyl)benzoate
Also Known As: methyl 2-(nitroacetyl)benzoate, methyl 2-(2-nitroacetyl)benzoate, Benzoic acid, 2-(2-nitroacetyl)-, methyl ester
| Molecular Formula | C10H9NO5 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 0.9326 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.04807 |
| Heavy Atoms | 16 |
| Complexity | 440.59045 |
Chemical Identifiers
| CAS Number | 54519-55-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C(=O)C[N+](=O)[O-] |
Product Overview
Methyl 2-(nitroacetyl)benzoate (CAS 54519-55-0), with molecular formula C10H9NO5 and molecular weight 223.05 g/mol. IUPAC: methyl 2-(2-nitroacetyl)benzoate.
Chemical Property Profile of Methyl 2-(nitroacetyl)benzoate
Property Insights of Methyl 2-(nitroacetyl)benzoate
The XLogP value of 0.9326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(nitroacetyl)benzoate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(nitroacetyl)benzoate. Following Lipinski's Rule of Five, Methyl 2-(nitroacetyl)benzoate has 0 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 2-(nitroacetyl)benzoate?
The CAS number of Methyl 2-(nitroacetyl)benzoate is 54519-55-0.
What is the molecular formula of Methyl 2-(nitroacetyl)benzoate?
The molecular formula of Methyl 2-(nitroacetyl)benzoate is C10H9NO5.
What is the molecular weight of Methyl 2-(nitroacetyl)benzoate?
The molecular weight of Methyl 2-(nitroacetyl)benzoate is 223.05 g/mol.
Where can I buy Methyl 2-(nitroacetyl)benzoate?
You can request a quote for Methyl 2-(nitroacetyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(nitroacetyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(nitroacetyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.