2-Ethyl-1,3,5-trinitro-benzene
TL;DR: 2-Ethyl-1,3,5-trinitro-benzene (CAS 13985-60-9) 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-ethyl-1,3,5-trinitrobenzene
Also Known As: 2-Ethyl-1,3,5-trinitrobenzene, 2,4,6-Trinitroethylbenzene, Ethyl-2,4,6-trinitrobenzene, 2-Ethyl-1,3,5-trinitro-benzene, 1-ethyl-2,4,6-trinitrobenzene
| 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 | 1 |
| Exact Mass | 241.03348 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 13985-60-9 |
|---|---|
| SMILES | CCC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VDKWJWFQFPWXFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-1,3,5-trinitro-benzene (CAS 13985-60-9), with molecular formula C8H7N3O6 and molecular weight 241.03 g/mol. IUPAC: 2-ethyl-1,3,5-trinitrobenzene.
Chemical Property Profile of 2-Ethyl-1,3,5-trinitro-benzene
Property Insights of 2-Ethyl-1,3,5-trinitro-benzene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1,3,5-trinitro-benzene. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-1,3,5-trinitro-benzene. Following Lipinski's Rule of Five, 2-Ethyl-1,3,5-trinitro-benzene 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-Ethyl-1,3,5-trinitro-benzene?
The CAS number of 2-Ethyl-1,3,5-trinitro-benzene is 13985-60-9.
What is the molecular formula of 2-Ethyl-1,3,5-trinitro-benzene?
The molecular formula of 2-Ethyl-1,3,5-trinitro-benzene is C8H7N3O6.
What is the molecular weight of 2-Ethyl-1,3,5-trinitro-benzene?
The molecular weight of 2-Ethyl-1,3,5-trinitro-benzene is 241.03 g/mol.
Where can I buy 2-Ethyl-1,3,5-trinitro-benzene?
You can request a quote for 2-Ethyl-1,3,5-trinitro-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1,3,5-trinitro-benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1,3,5-trinitro-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.