Methyl 3,4-dimethoxy-2-nitrobenzoate
TL;DR: Methyl 3,4-dimethoxy-2-nitrobenzoate (CAS 215648-57-0) is a chemical compound with molecular formula C10H11NO6 and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-dimethoxy-2-nitrobenzoate
Also Known As: Entacapone Impurity 108, methyl 3,4-dimethoxy-2-nitrobenzoate, Methyl 3,4-dimethoxynitrobenzoate, EINECS 275-975-0, Benzoic acid,3,4-dimethoxynitro-, methyl ester (9CI)
| Molecular Formula | C10H11NO6 |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 1.3986 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.05864 |
| Heavy Atoms | 17 |
| Complexity | 456.3545 |
Chemical Identifiers
| CAS Number | 215648-57-0 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C(=O)OC)[N+](=O)[O-])OC |
Product Overview
Methyl 3,4-dimethoxy-2-nitrobenzoate (CAS 215648-57-0), with molecular formula C10H11NO6 and molecular weight 241.06 g/mol. IUPAC: methyl 3,4-dimethoxy-2-nitrobenzoate.
Chemical Property Profile of Methyl 3,4-dimethoxy-2-nitrobenzoate
Property Insights of Methyl 3,4-dimethoxy-2-nitrobenzoate
The XLogP value of 1.3986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dimethoxy-2-nitrobenzoate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,4-dimethoxy-2-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3,4-dimethoxy-2-nitrobenzoate 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 3,4-dimethoxy-2-nitrobenzoate?
The CAS number of Methyl 3,4-dimethoxy-2-nitrobenzoate is 215648-57-0.
What is the molecular formula of Methyl 3,4-dimethoxy-2-nitrobenzoate?
The molecular formula of Methyl 3,4-dimethoxy-2-nitrobenzoate is C10H11NO6.
What is the molecular weight of Methyl 3,4-dimethoxy-2-nitrobenzoate?
The molecular weight of Methyl 3,4-dimethoxy-2-nitrobenzoate is 241.06 g/mol.
Where can I buy Methyl 3,4-dimethoxy-2-nitrobenzoate?
You can request a quote for Methyl 3,4-dimethoxy-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4-dimethoxy-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4-dimethoxy-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.