Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate
TL;DR: Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate (CAS 2982-53-8) is a chemical compound with molecular formula C11H13NO6 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate
Also Known As: methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate, AKOS AU36-M255, Maybridge1_002544, methyl (4,5-dimethoxy-2-nitrophenyl)acetate, DivK1c_001296
| Molecular Formula | C11H13NO6 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.07428 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 2982-53-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CC(=O)OC)[N+](=O)[O-])OC |
| InChIKey | YBOOBLNSFSZGGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate (CAS 2982-53-8), with molecular formula C11H13NO6 and molecular weight 255.07 g/mol. IUPAC: methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate.
Chemical Property Profile of Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate
Property Insights of Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate. Following Lipinski's Rule of Five, Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate 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 2-(4,5-dimethoxy-2-nitrophenyl)acetate?
The CAS number of Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate is 2982-53-8.
What is the molecular formula of Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate?
The molecular formula of Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate is C11H13NO6.
What is the molecular weight of Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate?
The molecular weight of Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate is 255.07 g/mol.
Where can I buy Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate?
You can request a quote for Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4,5-dimethoxy-2-nitrophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.