2-(2,4,6-Trinitrophenyl)ethanol
TL;DR: 2-(2,4,6-Trinitrophenyl)ethanol (CAS 2290-14-4) is a chemical compound with molecular formula C8H7N3O7 and molecular weight 257.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trinitrophenyl)ethanol
Also Known As: 2-(2,4,6-trinitrophenyl)ethanol, ZERO/001279, 2,4,6-Trinitrophenethyl alcohol, 2-(2,4,6-trinitrophenyl)-ethanol, 2-(2,4,6-TRINITROPHENYL)ETHAN-1-OL
| Molecular Formula | C8H7N3O7 |
|---|---|
| Molecular Weight | 257.03 g/mol |
| LogP | 0.946 |
| Topological Polar Surface Area | 149.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.0284 |
| Heavy Atoms | 18 |
| Complexity | 492.41702 |
Chemical Identifiers
| CAS Number | 2290-14-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])CCO)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(2,4,6-Trinitrophenyl)ethanol (CAS 2290-14-4), with molecular formula C8H7N3O7 and molecular weight 257.03 g/mol. IUPAC: 2-(2,4,6-trinitrophenyl)ethanol.
Chemical Property Profile of 2-(2,4,6-Trinitrophenyl)ethanol
Property Insights of 2-(2,4,6-Trinitrophenyl)ethanol
The XLogP value of 0.946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4,6-Trinitrophenyl)ethanol. The TPSA of 149.65 Ų indicates high polarity, suggesting 2-(2,4,6-Trinitrophenyl)ethanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2,4,6-Trinitrophenyl)ethanol has 1 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 2-(2,4,6-Trinitrophenyl)ethanol?
The CAS number of 2-(2,4,6-Trinitrophenyl)ethanol is 2290-14-4.
What is the molecular formula of 2-(2,4,6-Trinitrophenyl)ethanol?
The molecular formula of 2-(2,4,6-Trinitrophenyl)ethanol is C8H7N3O7.
What is the molecular weight of 2-(2,4,6-Trinitrophenyl)ethanol?
The molecular weight of 2-(2,4,6-Trinitrophenyl)ethanol is 257.03 g/mol.
Where can I buy 2-(2,4,6-Trinitrophenyl)ethanol?
You can request a quote for 2-(2,4,6-Trinitrophenyl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4,6-Trinitrophenyl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4,6-Trinitrophenyl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.