2,4-Dinitrophenyl propanoate
TL;DR: 2,4-Dinitrophenyl propanoate (CAS 32113-35-2) is a chemical compound with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl) propanoate
Also Known As: DNPP, 2,4-dinitrophenyl propanoate, (2,4-dinitrophenyl) propanoate, 2,4-dinitrophenyl propionate, Propionic acid 2,4-dinitrophenyl ester
| Molecular Formula | C9H8N2O6 |
|---|---|
| Molecular Weight | 240.04 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 | 240.03824 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 32113-35-2 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KGLNAPITCOBCCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitrophenyl propanoate (CAS 32113-35-2), with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol. IUPAC: (2,4-dinitrophenyl) propanoate.
Chemical Property Profile of 2,4-Dinitrophenyl propanoate
Property Insights of 2,4-Dinitrophenyl propanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitrophenyl propanoate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitrophenyl propanoate. Following Lipinski's Rule of Five, 2,4-Dinitrophenyl propanoate 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-Dinitrophenyl propanoate?
The CAS number of 2,4-Dinitrophenyl propanoate is 32113-35-2.
What is the molecular formula of 2,4-Dinitrophenyl propanoate?
The molecular formula of 2,4-Dinitrophenyl propanoate is C9H8N2O6.
What is the molecular weight of 2,4-Dinitrophenyl propanoate?
The molecular weight of 2,4-Dinitrophenyl propanoate is 240.04 g/mol.
Where can I buy 2,4-Dinitrophenyl propanoate?
You can request a quote for 2,4-Dinitrophenyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitrophenyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitrophenyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.