2,2,2-Trinitro-1-phenylethane
TL;DR: 2,2,2-Trinitro-1-phenylethane (CAS 38677-56-4) is a chemical compound with molecular formula C8H7N3O6 and molecular weight 241.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trinitroethylbenzene
Also Known As: phenyltrinitroethane, 2,2,2-trinitroethylbenzene, Benzene, trinitro-ethyl-, 2,2,2-Trinitro-1-phenylethane, (2,2,2-Trinitroethyl)benzene
| Molecular Formula | C8H7N3O6 |
|---|---|
| Molecular Weight | 241.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.03348 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 38677-56-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AJYDBHCFRVMOBB-UHFFFAOYSA-N |
Product Overview
2,2,2-Trinitro-1-phenylethane (CAS 38677-56-4), with molecular formula C8H7N3O6 and molecular weight 241.03 g/mol. IUPAC: 2,2,2-trinitroethylbenzene.
Chemical Property Profile of 2,2,2-Trinitro-1-phenylethane
Property Insights of 2,2,2-Trinitro-1-phenylethane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trinitro-1-phenylethane. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trinitro-1-phenylethane. Following Lipinski's Rule of Five, 2,2,2-Trinitro-1-phenylethane 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 2,2,2-Trinitro-1-phenylethane?
The CAS number of 2,2,2-Trinitro-1-phenylethane is 38677-56-4.
What is the molecular formula of 2,2,2-Trinitro-1-phenylethane?
The molecular formula of 2,2,2-Trinitro-1-phenylethane is C8H7N3O6.
What is the molecular weight of 2,2,2-Trinitro-1-phenylethane?
The molecular weight of 2,2,2-Trinitro-1-phenylethane is 241.03 g/mol.
Where can I buy 2,2,2-Trinitro-1-phenylethane?
You can request a quote for 2,2,2-Trinitro-1-phenylethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trinitro-1-phenylethane?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trinitro-1-phenylethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.