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[(1-Nitrocyclohexyl)methyl]benzene
TL;DR: [(1-Nitrocyclohexyl)methyl]benzene (CAS 70367-75-8) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-nitrocyclohexyl)methylbenzene
Also Known As: [(1-Nitrocyclohexyl)methyl]benzene|1-benzyl-1-nitrocyclohexane|(1-nitrocyclohexyl)methylbenzene|WVSHYKLHCOIXOK-UHFFFAOYSA-N
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 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 | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 355.45517 |
Chemical Identifiers
| CAS Number | 70367-75-8 |
|---|---|
| SMILES | C1CCC(CC1)(CC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
[(1-Nitrocyclohexyl)methyl]benzene (CAS 70367-75-8), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: (1-nitrocyclohexyl)methylbenzene.
Chemical Property Profile of [(1-Nitrocyclohexyl)methyl]benzene
Property Insights of [(1-Nitrocyclohexyl)methyl]benzene
The XLogP value of 3.2087 indicates that [(1-Nitrocyclohexyl)methyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, [(1-Nitrocyclohexyl)methyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(1-Nitrocyclohexyl)methyl]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 [(1-Nitrocyclohexyl)methyl]benzene?
The CAS number of [(1-Nitrocyclohexyl)methyl]benzene is 70367-75-8.
What is the molecular formula of [(1-Nitrocyclohexyl)methyl]benzene?
The molecular formula of [(1-Nitrocyclohexyl)methyl]benzene is C13H17NO2.
What is the molecular weight of [(1-Nitrocyclohexyl)methyl]benzene?
The molecular weight of [(1-Nitrocyclohexyl)methyl]benzene is 219.13 g/mol.
Where can I buy [(1-Nitrocyclohexyl)methyl]benzene?
You can request a quote for [(1-Nitrocyclohexyl)methyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Nitrocyclohexyl)methyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(1-Nitrocyclohexyl)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.