Methyl 5-methyl-2,4-dinitrobenzoate
TL;DR: Methyl 5-methyl-2,4-dinitrobenzoate (CAS 52090-25-2) is a chemical compound with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-2,4-dinitrobenzoate
Also Known As: methyl 5-methyl-2,4-dinitrobenzoate, methyl-5-methyl-2,4-dinitrobenzoate, methyl 2,4-dinitro-5-methylbenzoate, 5-methyl-2,4-dinitro-benzoic acid methyl ester, AH-357/03526039
| Molecular Formula | C9H8N2O6 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 1.59802 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.03824 |
| Heavy Atoms | 17 |
| Complexity | 510.4527 |
Chemical Identifiers
| CAS Number | 52090-25-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OC |
Product Overview
Methyl 5-methyl-2,4-dinitrobenzoate (CAS 52090-25-2), with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol. IUPAC: methyl 5-methyl-2,4-dinitrobenzoate.
Chemical Property Profile of Methyl 5-methyl-2,4-dinitrobenzoate
Property Insights of Methyl 5-methyl-2,4-dinitrobenzoate
The XLogP value of 1.59802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-methyl-2,4-dinitrobenzoate. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-methyl-2,4-dinitrobenzoate. Following Lipinski's Rule of Five, Methyl 5-methyl-2,4-dinitrobenzoate has 0 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 5-methyl-2,4-dinitrobenzoate?
The CAS number of Methyl 5-methyl-2,4-dinitrobenzoate is 52090-25-2.
What is the molecular formula of Methyl 5-methyl-2,4-dinitrobenzoate?
The molecular formula of Methyl 5-methyl-2,4-dinitrobenzoate is C9H8N2O6.
What is the molecular weight of Methyl 5-methyl-2,4-dinitrobenzoate?
The molecular weight of Methyl 5-methyl-2,4-dinitrobenzoate is 240.04 g/mol.
Where can I buy Methyl 5-methyl-2,4-dinitrobenzoate?
You can request a quote for Methyl 5-methyl-2,4-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-methyl-2,4-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-methyl-2,4-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.