1-(Nitromethyl)cyclohexene
TL;DR: 1-(Nitromethyl)cyclohexene (CAS 5330-61-0) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(nitromethyl)cyclohexene
Also Known As: 1-(Nitromethyl)cyclohexene, 1-(Nitromethyl)cyclohex-1-ene, Cyclohexene,1-(nitromethyl)-, 1-(nitromethyl) cyclohexene, 1-nitromethyl-1-cyclohexene
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 5330-61-0 |
|---|---|
| SMILES | C1CCC(=CC1)C[N+](=O)[O-] |
| InChIKey | KEELANLBFIOZSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Nitromethyl)cyclohexene (CAS 5330-61-0), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: 1-(nitromethyl)cyclohexene.
Chemical Property Profile of 1-(Nitromethyl)cyclohexene
Property Insights of 1-(Nitromethyl)cyclohexene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Nitromethyl)cyclohexene. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(Nitromethyl)cyclohexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Nitromethyl)cyclohexene 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-(Nitromethyl)cyclohexene?
The CAS number of 1-(Nitromethyl)cyclohexene is 5330-61-0.
What is the molecular formula of 1-(Nitromethyl)cyclohexene?
The molecular formula of 1-(Nitromethyl)cyclohexene is C7H11NO2.
What is the molecular weight of 1-(Nitromethyl)cyclohexene?
The molecular weight of 1-(Nitromethyl)cyclohexene is 141.08 g/mol.
Where can I buy 1-(Nitromethyl)cyclohexene?
You can request a quote for 1-(Nitromethyl)cyclohexene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Nitromethyl)cyclohexene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Nitromethyl)cyclohexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.