Methyl 2-acetamido-5-nitrobenzoate
TL;DR: Methyl 2-acetamido-5-nitrobenzoate (CAS 61968-68-1) is a chemical compound with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-5-nitrobenzoate
Also Known As: Methyl 2-acetamido-5-nitrobenzoate, Methyl 2-(Acetylamino)-5-nitrobenzoate, Maybridge1_006182, METHYL2- -5-NITROBENZOATE, 5260AE
| Molecular Formula | C10H10N2O5 |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.05898 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 61968-68-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC |
| InChIKey | HAKPLTBAUCAFMV-UHFFFAOYSA-N |
Product Overview
Methyl 2-acetamido-5-nitrobenzoate (CAS 61968-68-1), with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol. IUPAC: methyl 2-acetamido-5-nitrobenzoate.
Chemical Property Profile of Methyl 2-acetamido-5-nitrobenzoate
Property Insights of Methyl 2-acetamido-5-nitrobenzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetamido-5-nitrobenzoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-acetamido-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-acetamido-5-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 2-acetamido-5-nitrobenzoate?
The CAS number of Methyl 2-acetamido-5-nitrobenzoate is 61968-68-1.
What is the molecular formula of Methyl 2-acetamido-5-nitrobenzoate?
The molecular formula of Methyl 2-acetamido-5-nitrobenzoate is C10H10N2O5.
What is the molecular weight of Methyl 2-acetamido-5-nitrobenzoate?
The molecular weight of Methyl 2-acetamido-5-nitrobenzoate is 238.06 g/mol.
Where can I buy Methyl 2-acetamido-5-nitrobenzoate?
You can request a quote for Methyl 2-acetamido-5-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-acetamido-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetamido-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.