Ethyl 2-methyl-3-nitrobenzoate
TL;DR: Ethyl 2-methyl-3-nitrobenzoate (CAS 59382-60-4) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-3-nitrobenzoate
Also Known As: ethyl 2-methyl-3-nitrobenzoate, ethyl2-methyl-3-nitrobenzoate, Benzoic acid, 2-methyl-3-nitro-, ethyl ester, Ethyl 2-methyl-3-nitro-benzoat, Ethyl 3-Nitro-2-Methylbenzoate
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.07992 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 400.4089 |
Chemical Identifiers
| CAS Number | 59382-60-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C |
Product Overview
Ethyl 2-methyl-3-nitrobenzoate (CAS 59382-60-4), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: ethyl 2-methyl-3-nitrobenzoate.
Chemical Property Profile of Ethyl 2-methyl-3-nitrobenzoate
Property Insights of Ethyl 2-methyl-3-nitrobenzoate
The XLogP value of 2.07992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-3-nitrobenzoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-3-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 2-methyl-3-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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 Ethyl 2-methyl-3-nitrobenzoate?
The CAS number of Ethyl 2-methyl-3-nitrobenzoate is 59382-60-4.
What is the molecular formula of Ethyl 2-methyl-3-nitrobenzoate?
The molecular formula of Ethyl 2-methyl-3-nitrobenzoate is C10H11NO4.
What is the molecular weight of Ethyl 2-methyl-3-nitrobenzoate?
The molecular weight of Ethyl 2-methyl-3-nitrobenzoate is 209.07 g/mol.
Where can I buy Ethyl 2-methyl-3-nitrobenzoate?
You can request a quote for Ethyl 2-methyl-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.