1-(2,4,6-Trinitrophenyl)aziridine
TL;DR: 1-(2,4,6-Trinitrophenyl)aziridine (CAS 27141-70-4) is a chemical compound with molecular formula C8H6N4O6 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4,6-trinitrophenyl)aziridine
Also Known As: Dithiobisacetylcholine, 1-(2,4,6-Trinitrophenyl)aziridine, Aziridine, 1-picryl-, 2,4,6-Trinitrophenylethyleneimine, AZIRIDINE, 1-(2,4,6-TRINITROPHENYL)-
| Molecular Formula | C8H6N4O6 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.02873 |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 27141-70-4 |
|---|---|
| SMILES | C1CN1C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AUDXCDCDOYYJNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,4,6-Trinitrophenyl)aziridine (CAS 27141-70-4), with molecular formula C8H6N4O6 and molecular weight 254.03 g/mol. IUPAC: 1-(2,4,6-trinitrophenyl)aziridine.
Chemical Property Profile of 1-(2,4,6-Trinitrophenyl)aziridine
Property Insights of 1-(2,4,6-Trinitrophenyl)aziridine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4,6-Trinitrophenyl)aziridine. The TPSA of 140.0 Ų indicates high polarity, suggesting 1-(2,4,6-Trinitrophenyl)aziridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2,4,6-Trinitrophenyl)aziridine has 0 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 1-(2,4,6-Trinitrophenyl)aziridine?
The CAS number of 1-(2,4,6-Trinitrophenyl)aziridine is 27141-70-4.
What is the molecular formula of 1-(2,4,6-Trinitrophenyl)aziridine?
The molecular formula of 1-(2,4,6-Trinitrophenyl)aziridine is C8H6N4O6.
What is the molecular weight of 1-(2,4,6-Trinitrophenyl)aziridine?
The molecular weight of 1-(2,4,6-Trinitrophenyl)aziridine is 254.03 g/mol.
Where can I buy 1-(2,4,6-Trinitrophenyl)aziridine?
You can request a quote for 1-(2,4,6-Trinitrophenyl)aziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4,6-Trinitrophenyl)aziridine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4,6-Trinitrophenyl)aziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.