Methyl 2,5-dimethyl-3-nitrobenzoate
TL;DR: Methyl 2,5-dimethyl-3-nitrobenzoate (CAS 27164-10-9) 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.
methyl 2,5-dimethyl-3-nitrobenzoate
Also Known As: methyl 2,5-dimethyl-3-nitrobenzoate, NCIOpen2_007309, methyl 2,5-dimethyl-3-nitro-benzoate, 3,6-Dimethylanthranilsaeure-methylester, 2,5-Dimethyl-3-nitro-benzoic acid methyl ester
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 27164-10-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])C)C(=O)OC |
| InChIKey | QXYKFVOZYSRLAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,5-dimethyl-3-nitrobenzoate (CAS 27164-10-9), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: methyl 2,5-dimethyl-3-nitrobenzoate.
Chemical Property Profile of Methyl 2,5-dimethyl-3-nitrobenzoate
Property Insights of Methyl 2,5-dimethyl-3-nitrobenzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,5-dimethyl-3-nitrobenzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,5-dimethyl-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2,5-dimethyl-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 Methyl 2,5-dimethyl-3-nitrobenzoate?
The CAS number of Methyl 2,5-dimethyl-3-nitrobenzoate is 27164-10-9.
What is the molecular formula of Methyl 2,5-dimethyl-3-nitrobenzoate?
The molecular formula of Methyl 2,5-dimethyl-3-nitrobenzoate is C10H11NO4.
What is the molecular weight of Methyl 2,5-dimethyl-3-nitrobenzoate?
The molecular weight of Methyl 2,5-dimethyl-3-nitrobenzoate is 209.07 g/mol.
Where can I buy Methyl 2,5-dimethyl-3-nitrobenzoate?
You can request a quote for Methyl 2,5-dimethyl-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 2,5-dimethyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,5-dimethyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.