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Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate
TL;DR: Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate (CAS 93247-79-1) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate
Also Known As: Niraparib impurity 24, methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate, Indole-7-carboxylicacidmethylester, BAS 00380670, Benzoic acid, 3-[2-(dimethylamino)ethenyl]-2-nitro-, methyl ester
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 93247-79-1 |
|---|---|
| SMILES | CN(C)C=CC1=C(C(=CC=C1)C(=O)OC)[N+](=O)[O-] |
| InChIKey | PPCHVJGFXSDKDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate (CAS 93247-79-1), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate.
Chemical Property Profile of Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate
Property Insights of Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate has 0 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 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate?
The CAS number of Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate is 93247-79-1.
What is the molecular formula of Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate?
The molecular formula of Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate is C12H14N2O4.
What is the molecular weight of Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate?
The molecular weight of Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate is 250.10 g/mol.
Where can I buy Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate?
You can request a quote for Methyl 3-[2-(dimethylamino)ethenyl]-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-[2-(dimethylamino)ethenyl]-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[2-(dimethylamino)ethenyl]-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.