Methyl 4-dimethylaminovinyl-3-nitrobenzoate
TL;DR: Methyl 4-dimethylaminovinyl-3-nitrobenzoate (CAS 104447-80-5) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[2-(dimethylamino)ethenyl]-3-nitrobenzoate
Also Known As: methyl 4-dimethylaminovinyl-3-nitrobenzoate, methyl 4-[2-(dimethylamino)ethenyl]-3-nitrobenzoate, methyl 4-(2-(dimethylamino)vinyl)-3-nitrobenzoate, methyl 4-(2-dimethylaminovinyl)-3-nitrobenzoate, Methyl 4-(2-dimethylaminovinyl)-3-nitro-benzoate
Technical Specifications
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.09535 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.09535 Da |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
| SMILES | CN(C)C=CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-] |
| InChIKey | RTGNZFSMKJWWKA-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-dimethylaminovinyl-3-nitrobenzoate
Property Insights of Methyl 4-dimethylaminovinyl-3-nitrobenzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-dimethylaminovinyl-3-nitrobenzoate. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-dimethylaminovinyl-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-dimethylaminovinyl-3-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
What is the CAS number of Methyl 4-dimethylaminovinyl-3-nitrobenzoate?
The CAS number of Methyl 4-dimethylaminovinyl-3-nitrobenzoate is 104447-80-5.
What is the molecular formula of Methyl 4-dimethylaminovinyl-3-nitrobenzoate?
The molecular formula of Methyl 4-dimethylaminovinyl-3-nitrobenzoate is C12H14N2O4.
What is the molecular weight of Methyl 4-dimethylaminovinyl-3-nitrobenzoate?
The molecular weight of Methyl 4-dimethylaminovinyl-3-nitrobenzoate is 250.09535 g/mol.
Where can I buy Methyl 4-dimethylaminovinyl-3-nitrobenzoate?
You can request a quote for Methyl 4-dimethylaminovinyl-3-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-dimethylaminovinyl-3-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-dimethylaminovinyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.