2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate
TL;DR: 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate (CAS 134682-95-4) is a chemical compound with molecular formula C17H26N2O4 and molecular weight 322.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexyl 4-(dimethylamino)-3-nitrobenzoate
Also Known As: 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate, Benzoic acid, 4-(dimethylamino)-3-nitro-, 2-ethylhexyl ester, 4-N,N-Dimethylamino-3-nitrobenzoic acid, 2-ethylhexyl ester, 4-N,N'-Dimethylamino-3-nitrobenzoic acid 2-ethylhexyl ester, Benzoic acid,4-(dimethylamino)-3-nitro-,2-ethylhexyl ester
Technical Specifications
| Molecular Formula | C17H26N2O4 |
| Molecular Weight | 322.18927 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 322.18927 Da |
| Heavy Atoms | 23 |
| Complexity | 381.0 |
| SMILES | CCCCC(CC)COC(=O)C1=CC(=C(C=C1)N(C)C)[N+](=O)[O-] |
| InChIKey | GFQKECYCADMIJF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate
Property Insights of 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate
The XLogP value of 4.9 indicates that 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate. Following Lipinski's Rule of Five, 2-Ethylhexyl 4-(dimethylamino)-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 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate?
The CAS number of 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate is 134682-95-4.
What is the molecular formula of 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate?
The molecular formula of 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate is C17H26N2O4.
What is the molecular weight of 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate?
The molecular weight of 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate is 322.18927 g/mol.
Where can I buy 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate?
You can request a quote for 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for 2-Ethylhexyl 4-(dimethylamino)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.