2,4-Dinitro-1H-pyrrole-1-ethanol
TL;DR: 2,4-Dinitro-1H-pyrrole-1-ethanol (CAS 3434-16-0) is a chemical compound with molecular formula C6H7N3O5 and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitropyrrol-1-yl)ethanol
Also Known As: 2,4-Dinitro-1H-pyrrole-1-ethanol, 1H-Pyrrole-1-ethanol, 2,4-dinitro-, 2-(2,4-dinitropyrrol-1-yl)ethanol, 1H-Pyrrole-1-ethanol,2,4-dinitro-, 2-(2,4-Dinitro-1H-pyrrol-1-yl)ethan-1-ol
| Molecular Formula | C6H7N3O5 |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.03857 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 3434-16-0 |
|---|---|
| SMILES | C1=C(N(C=C1[N+](=O)[O-])CCO)[N+](=O)[O-] |
| InChIKey | JLCWEDLGHASLGM-UHFFFAOYSA-N |
Product Overview
2,4-Dinitro-1H-pyrrole-1-ethanol (CAS 3434-16-0), with molecular formula C6H7N3O5 and molecular weight 201.04 g/mol. IUPAC: 2-(2,4-dinitropyrrol-1-yl)ethanol.
Chemical Property Profile of 2,4-Dinitro-1H-pyrrole-1-ethanol
Property Insights of 2,4-Dinitro-1H-pyrrole-1-ethanol
The XLogP value of -0.1 indicates that 2,4-Dinitro-1H-pyrrole-1-ethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitro-1H-pyrrole-1-ethanol. Following Lipinski's Rule of Five, 2,4-Dinitro-1H-pyrrole-1-ethanol has 1 hydrogen bond donor(s) and 5 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-Dinitro-1H-pyrrole-1-ethanol?
The CAS number of 2,4-Dinitro-1H-pyrrole-1-ethanol is 3434-16-0.
What is the molecular formula of 2,4-Dinitro-1H-pyrrole-1-ethanol?
The molecular formula of 2,4-Dinitro-1H-pyrrole-1-ethanol is C6H7N3O5.
What is the molecular weight of 2,4-Dinitro-1H-pyrrole-1-ethanol?
The molecular weight of 2,4-Dinitro-1H-pyrrole-1-ethanol is 201.04 g/mol.
Where can I buy 2,4-Dinitro-1H-pyrrole-1-ethanol?
You can request a quote for 2,4-Dinitro-1H-pyrrole-1-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitro-1H-pyrrole-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-1H-pyrrole-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.