Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-
TL;DR: Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)- (CAS 64511-86-0) is a chemical compound with molecular formula C16H16N2O6 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]benzoic acid
Also Known As: 4-((2-Hydroxy-3-(4-nitrophenoxy)propyl)amino)benzoic acid, Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-, 4-{[2-hydroxy-3-(4-nitrophenoxy)propyl]amino}benzoic acid, 4-[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]benzoic acid, Benzoic acid,4-[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]-
| Molecular Formula | C16H16N2O6 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.10083 |
| Heavy Atoms | 24 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 64511-86-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NCC(COC2=CC=C(C=C2)[N+](=O)[O-])O |
| InChIKey | COKSANTUGWXIER-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)- (CAS 64511-86-0), with molecular formula C16H16N2O6 and molecular weight 332.10 g/mol. IUPAC: 4-[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-
Property Insights of Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)- has 3 hydrogen bond donor(s) and 7 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 Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-?
The CAS number of Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)- is 64511-86-0.
What is the molecular formula of Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-?
The molecular formula of Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)- is C16H16N2O6.
What is the molecular weight of Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-?
The molecular weight of Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)- is 332.10 g/mol.
Where can I buy Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-?
You can request a quote for Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.