(2,4-二硝基苯基)乙酸
TL;DR: (2,4-二硝基苯基)乙酸 (CAS 643-43-6) is a chemical compound with molecular formula C8H6N2O6 and molecular weight 226.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-二硝基苯基)乙酸
dinitromethyl benzoate
Also Known As: dinitromethyl benzoate, 2,4-Dinitrophenylacetic acid, Acetic acid, (2,4-dinitrophenyl)-, (2,4-Dinitrophenyl)acetic acid, Benzeneacetic acid, 2,4-dinitro-
| Molecular Formula | C8H6N2O6 |
|---|---|
| Molecular Weight | 226.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.02258 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 643-43-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GZSYUSWRSRHPNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,4-二硝基苯基)乙酸 (CAS 643-43-6), with molecular formula C8H6N2O6 and molecular weight 226.02 g/mol. IUPAC: dinitromethyl benzoate.
Chemical Property Profile of (2,4-二硝基苯基)乙酸
Property Insights of (2,4-二硝基苯基)乙酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-二硝基苯基)乙酸. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-二硝基苯基)乙酸. Following Lipinski's Rule of Five, (2,4-二硝基苯基)乙酸 has 0 hydrogen bond donor(s) and 6 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 (2,4-二硝基苯基)乙酸?
The CAS number of (2,4-二硝基苯基)乙酸 is 643-43-6.
What is the molecular formula of (2,4-二硝基苯基)乙酸?
The molecular formula of (2,4-二硝基苯基)乙酸 is C8H6N2O6.
What is the molecular weight of (2,4-二硝基苯基)乙酸?
The molecular weight of (2,4-二硝基苯基)乙酸 is 226.02 g/mol.
Where can I buy (2,4-二硝基苯基)乙酸?
You can request a quote for (2,4-二硝基苯基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-二硝基苯基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (2,4-二硝基苯基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.