4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene
TL;DR: 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene (CAS 54379-19-0) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene
Also Known As: 4-ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene, 4-ethyl-1-(1-methylcyclopropyl)-2-nitro-benzene, RefChem:292516
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 3.2087 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 408.0832 |
Chemical Identifiers
| CAS Number | 54379-19-0 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)C2(CC2)C)[N+](=O)[O-] |
Product Overview
4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene (CAS 54379-19-0), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 4-ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene.
Chemical Property Profile of 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene
Property Insights of 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene
The XLogP value of 3.2087 indicates that 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene has 0 hydrogen bond donor(s) and 2 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 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene?
The CAS number of 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene is 54379-19-0.
What is the molecular formula of 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene?
The molecular formula of 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene is C12H15NO2.
What is the molecular weight of 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene?
The molecular weight of 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene is 205.11 g/mol.
Where can I buy 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene?
You can request a quote for 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-1-(1-methylcyclopropyl)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.