Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate
TL;DR: Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate (CAS 57113-90-3) is a chemical compound with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate
Also Known As: Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate, Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate, Azilsartan Impurity 51, Azilsartan Impurity 73, BEN130
| Molecular Formula | C13H16N2O6 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 2.7284 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.10083 |
| Heavy Atoms | 21 |
| Complexity | 576.51447 |
Chemical Identifiers
| CAS Number | 57113-90-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate (CAS 57113-90-3), with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol. IUPAC: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate.
Chemical Property Profile of Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate
Property Insights of Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate
The XLogP value of 2.7284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate has 1 hydrogen bond donor(s) and 6 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-((tert-butoxycarbonyl)amino)-3-nitrobenzoate?
The CAS number of Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate is 57113-90-3.
What is the molecular formula of Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate?
The molecular formula of Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate is C13H16N2O6.
What is the molecular weight of Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate?
The molecular weight of Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate is 296.10 g/mol.
Where can I buy Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate?
You can request a quote for Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.