3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid
TL;DR: 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid (CAS 108302-82-5) is a chemical compound with molecular formula C9H8N2O7 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
Also Known As: 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid, 3.5-Dinitro-hydro-p-cumarsaeure, 3,5-DINITROPHLORETIC ACID, Benzenepropanoic acid,4-hydroxy-3,5-dinitro-, (4-Hydroxy-3,5-dinitrophenyl)propionic acid
| Molecular Formula | C9H8N2O7 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.03314 |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 108302-82-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CCC(=O)O |
| InChIKey | NZNKSEVNZBZPCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid (CAS 108302-82-5), with molecular formula C9H8N2O7 and molecular weight 256.03 g/mol. IUPAC: 3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid.
Chemical Property Profile of 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid
Property Insights of 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid. The TPSA of 149.0 Ų indicates high polarity, suggesting 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid has 2 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 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid?
The CAS number of 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid is 108302-82-5.
What is the molecular formula of 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid?
The molecular formula of 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid is C9H8N2O7.
What is the molecular weight of 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid?
The molecular weight of 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid is 256.03 g/mol.
Where can I buy 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid?
You can request a quote for 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.