3,5-Dinitro-4-hydroxyphenacetic acid
TL;DR: 3,5-Dinitro-4-hydroxyphenacetic acid (CAS 10463-37-3) is a chemical compound with molecular formula C8H6N2O7 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxy-3,5-dinitrophenyl)acetic acid
Also Known As: 3,5-Dinitro-4-hydroxyphenylacetic acid, 2-(4-hydroxy-3,5-dinitrophenyl)acetic acid, 4-Hydroxy-3,5-dinitrophenylacetic acid, 4-Hydroxy-3,5-dinitrophenacetyl, (4-Hydroxy-3,5-dinitrophenyl)acetic acid
| Molecular Formula | C8H6N2O7 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.0175 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 10463-37-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CC(=O)O |
| InChIKey | MLVYQQLUGFSXQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dinitro-4-hydroxyphenacetic acid (CAS 10463-37-3), with molecular formula C8H6N2O7 and molecular weight 242.02 g/mol. IUPAC: 2-(4-hydroxy-3,5-dinitrophenyl)acetic acid.
Chemical Property Profile of 3,5-Dinitro-4-hydroxyphenacetic acid
Property Insights of 3,5-Dinitro-4-hydroxyphenacetic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitro-4-hydroxyphenacetic acid. The TPSA of 149.0 Ų indicates high polarity, suggesting 3,5-Dinitro-4-hydroxyphenacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dinitro-4-hydroxyphenacetic 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 3,5-Dinitro-4-hydroxyphenacetic acid?
The CAS number of 3,5-Dinitro-4-hydroxyphenacetic acid is 10463-37-3.
What is the molecular formula of 3,5-Dinitro-4-hydroxyphenacetic acid?
The molecular formula of 3,5-Dinitro-4-hydroxyphenacetic acid is C8H6N2O7.
What is the molecular weight of 3,5-Dinitro-4-hydroxyphenacetic acid?
The molecular weight of 3,5-Dinitro-4-hydroxyphenacetic acid is 242.02 g/mol.
Where can I buy 3,5-Dinitro-4-hydroxyphenacetic acid?
You can request a quote for 3,5-Dinitro-4-hydroxyphenacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitro-4-hydroxyphenacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitro-4-hydroxyphenacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.