4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid
TL;DR: 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid (CAS 127971-56-6) is a chemical compound with molecular formula C13H17N3O7 and molecular weight 327.10666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-hydroxypentan-3-ylamino)-2-methyl-3,5-dinitrobenzoic acid
Also Known As: 3,5-Dinitro-4-((1-ethyl-3-hydroxypropyl)amino)-2-methylbenzoic acid, 4-(1-hydroxypentan-3-ylamino)-2-methyl-3,5-dinitrobenzoic acid, Benzoic acid, 3,5-dinitro-4-((1-ethyl-3-hydroxypropyl)amino)-2-methyl-, 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid, 4-[(1-HYDROXYPENTAN-3-YL)AMINO]-2-METHYL-3,5-DINITROBENZOIC ACID
Technical Specifications
| Molecular Formula | C13H17N3O7 |
| Molecular Weight | 327.10666 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.10666 Da |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
| SMILES | CCC(CCO)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C(=O)O)[N+](=O)[O-] |
| InChIKey | MNGRYYVAHATKGZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid
Property Insights of 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid. The TPSA of 161.0 Ų indicates high polarity, suggesting 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid?
The CAS number of 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid is 127971-56-6.
What is the molecular formula of 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid?
The molecular formula of 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid is C13H17N3O7.
What is the molecular weight of 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid?
The molecular weight of 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid is 327.10666 g/mol.
Where can I buy 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid?
You can request a quote for 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-((1-Ethyl-3-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.