(2-Nitrocyclohexyl)benzene
TL;DR: (2-Nitrocyclohexyl)benzene (CAS 74221-87-7) 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.
(2-nitrocyclohexyl)benzene
Also Known As: (2-nitrocyclohexyl)benzene, 2-Nitrocyclohexylbenzene, 1-nitro-2-phenylcyclohexane, (2-Nitrocyclohexyl)-benzene, NCIOpen2_004877
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 74221-87-7 |
|---|---|
| SMILES | C1CCC(C(C1)C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | JPUJWHOKGSAARG-UHFFFAOYSA-N |
Product Overview
(2-Nitrocyclohexyl)benzene (CAS 74221-87-7), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: (2-nitrocyclohexyl)benzene.
Chemical Property Profile of (2-Nitrocyclohexyl)benzene
Property Insights of (2-Nitrocyclohexyl)benzene
The XLogP value of 3.2 indicates that (2-Nitrocyclohexyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, (2-Nitrocyclohexyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Nitrocyclohexyl)benzene 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 (2-Nitrocyclohexyl)benzene?
The CAS number of (2-Nitrocyclohexyl)benzene is 74221-87-7.
What is the molecular formula of (2-Nitrocyclohexyl)benzene?
The molecular formula of (2-Nitrocyclohexyl)benzene is C12H15NO2.
What is the molecular weight of (2-Nitrocyclohexyl)benzene?
The molecular weight of (2-Nitrocyclohexyl)benzene is 205.11 g/mol.
Where can I buy (2-Nitrocyclohexyl)benzene?
You can request a quote for (2-Nitrocyclohexyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Nitrocyclohexyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2-Nitrocyclohexyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.