2,2-Dinitropropyl acrylate
TL;DR: 2,2-Dinitropropyl acrylate (CAS 17977-09-2) is a chemical compound with molecular formula C6H8N2O6 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dinitropropyl prop-2-enoate
Also Known As: 2,2-DINITROPROPYL ACRYLATE, DNPA, 2,2-dinitropropyl prop-2-enoate, 2,2-Dinitropropyl 2-propenoate, 2,2-Dinitropropylacrylat
| Molecular Formula | C6H8N2O6 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.03824 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
| Vapor Pressure | 0.00106 [mmHg] |
Chemical Identifiers
| CAS Number | 17977-09-2 |
|---|---|
| SMILES | CC(COC(=O)C=C)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | BGPPMVLBKMPVQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dinitropropyl acrylate (CAS 17977-09-2), with molecular formula C6H8N2O6 and molecular weight 204.04 g/mol. IUPAC: 2,2-dinitropropyl prop-2-enoate.
Chemical Property Profile of 2,2-Dinitropropyl acrylate
Property Insights of 2,2-Dinitropropyl acrylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dinitropropyl acrylate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dinitropropyl acrylate. Following Lipinski's Rule of Five, 2,2-Dinitropropyl acrylate 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 2,2-Dinitropropyl acrylate?
The CAS number of 2,2-Dinitropropyl acrylate is 17977-09-2.
What is the molecular formula of 2,2-Dinitropropyl acrylate?
The molecular formula of 2,2-Dinitropropyl acrylate is C6H8N2O6.
What is the molecular weight of 2,2-Dinitropropyl acrylate?
The molecular weight of 2,2-Dinitropropyl acrylate is 204.04 g/mol.
Where can I buy 2,2-Dinitropropyl acrylate?
You can request a quote for 2,2-Dinitropropyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dinitropropyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dinitropropyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.