1-Tert-butyl-4-nitrocyclohexane
TL;DR: 1-Tert-butyl-4-nitrocyclohexane (CAS 7214-33-7) is a chemical compound with molecular formula C10H19NO2 and molecular weight 185.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-nitrocyclohexane
Also Known As: 1-tert-butyl-4-nitrocyclohexane, 4-t-Butyl-nitro-cyclohexan, cis-4-t-butylnitrocyclohexane, 4-t-butyl-1-nitrocyclohexane, 1-Nitro-4-tert-butylcyclohexane
| Molecular Formula | C10H19NO2 |
|---|---|
| Molecular Weight | 185.14 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 | 185.14159 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 7214-33-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)[N+](=O)[O-] |
| InChIKey | ITQUGHDCTPAINF-UHFFFAOYSA-N |
Product Overview
1-Tert-butyl-4-nitrocyclohexane (CAS 7214-33-7), with molecular formula C10H19NO2 and molecular weight 185.14 g/mol. IUPAC: 1-tert-butyl-4-nitrocyclohexane.
Chemical Property Profile of 1-Tert-butyl-4-nitrocyclohexane
Property Insights of 1-Tert-butyl-4-nitrocyclohexane
The XLogP value of 3.2 indicates that 1-Tert-butyl-4-nitrocyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Tert-butyl-4-nitrocyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-4-nitrocyclohexane 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 1-Tert-butyl-4-nitrocyclohexane?
The CAS number of 1-Tert-butyl-4-nitrocyclohexane is 7214-33-7.
What is the molecular formula of 1-Tert-butyl-4-nitrocyclohexane?
The molecular formula of 1-Tert-butyl-4-nitrocyclohexane is C10H19NO2.
What is the molecular weight of 1-Tert-butyl-4-nitrocyclohexane?
The molecular weight of 1-Tert-butyl-4-nitrocyclohexane is 185.14 g/mol.
Where can I buy 1-Tert-butyl-4-nitrocyclohexane?
You can request a quote for 1-Tert-butyl-4-nitrocyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-4-nitrocyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-4-nitrocyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.