(2-Nitro-1-nitrosoethyl)benzene
TL;DR: (2-Nitro-1-nitrosoethyl)benzene (CAS 40070-06-2) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitro-1-nitrosoethyl)benzene
Also Known As: (2-nitro-1-nitrosoethyl)benzene, Styrolpseudonitrosit, Benzene,(2-nitro-1-nitrosoethyl)-, (1-Nitroso-2-nitroethyl)benzene, (2-nitro-1-nitroso-ethyl)-benzene
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 40070-06-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C[N+](=O)[O-])N=O |
| InChIKey | HJVGFXVHUWSXNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Nitro-1-nitrosoethyl)benzene (CAS 40070-06-2), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: (2-nitro-1-nitrosoethyl)benzene.
Chemical Property Profile of (2-Nitro-1-nitrosoethyl)benzene
Property Insights of (2-Nitro-1-nitrosoethyl)benzene
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Nitro-1-nitrosoethyl)benzene. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Nitro-1-nitrosoethyl)benzene. Following Lipinski's Rule of Five, (2-Nitro-1-nitrosoethyl)benzene has 0 hydrogen bond donor(s) and 4 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-Nitro-1-nitrosoethyl)benzene?
The CAS number of (2-Nitro-1-nitrosoethyl)benzene is 40070-06-2.
What is the molecular formula of (2-Nitro-1-nitrosoethyl)benzene?
The molecular formula of (2-Nitro-1-nitrosoethyl)benzene is C8H8N2O3.
What is the molecular weight of (2-Nitro-1-nitrosoethyl)benzene?
The molecular weight of (2-Nitro-1-nitrosoethyl)benzene is 180.05 g/mol.
Where can I buy (2-Nitro-1-nitrosoethyl)benzene?
You can request a quote for (2-Nitro-1-nitrosoethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Nitro-1-nitrosoethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2-Nitro-1-nitrosoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.