Methyl 2-hydroxy-4-methyl-3-nitrobenzoate
TL;DR: Methyl 2-hydroxy-4-methyl-3-nitrobenzoate (CAS 24279-14-9) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-4-methyl-3-nitrobenzoate
Also Known As: 3-Aminoproline, Methyl 2-hydroxy-4-methyl-3-nitrobenzoate, methyl 6-methyl-3-nitrosalicylate, 2-Hydroxy-4-methyl-3-nitro-benzoic acid methyl ester, Methy 2-Hydroxy-4-methyl-3-nitro-benzoate
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 24279-14-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)OC)O)[N+](=O)[O-] |
| InChIKey | QOZOFWURSWWUCR-UHFFFAOYSA-N |
Product Overview
Methyl 2-hydroxy-4-methyl-3-nitrobenzoate (CAS 24279-14-9), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: methyl 2-hydroxy-4-methyl-3-nitrobenzoate.
Chemical Property Profile of Methyl 2-hydroxy-4-methyl-3-nitrobenzoate
Property Insights of Methyl 2-hydroxy-4-methyl-3-nitrobenzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxy-4-methyl-3-nitrobenzoate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-hydroxy-4-methyl-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-hydroxy-4-methyl-3-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-hydroxy-4-methyl-3-nitrobenzoate?
The CAS number of Methyl 2-hydroxy-4-methyl-3-nitrobenzoate is 24279-14-9.
What is the molecular formula of Methyl 2-hydroxy-4-methyl-3-nitrobenzoate?
The molecular formula of Methyl 2-hydroxy-4-methyl-3-nitrobenzoate is C9H9NO5.
What is the molecular weight of Methyl 2-hydroxy-4-methyl-3-nitrobenzoate?
The molecular weight of Methyl 2-hydroxy-4-methyl-3-nitrobenzoate is 211.05 g/mol.
Where can I buy Methyl 2-hydroxy-4-methyl-3-nitrobenzoate?
You can request a quote for Methyl 2-hydroxy-4-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 Methyl 2-hydroxy-4-methyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-4-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.