(6-Nitrocyclohex-3-en-1-yl)benzene
TL;DR: (6-Nitrocyclohex-3-en-1-yl)benzene (CAS 88611-69-2) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-nitrocyclohex-3-en-1-yl)benzene
Also Known As: (6-nitrocyclohex-3-en-1-yl)benzene, 4-phenyl-5-nitrocyclohexene, NCIOpen2_005366, 2-nitrocyclohex-4-enylbenzene, 4-nitro-5-phenylcyclohexene-1
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 88611-69-2 |
|---|---|
| SMILES | C1C=CCC(C1C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | UXWVJBRZRRCUHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(6-Nitrocyclohex-3-en-1-yl)benzene (CAS 88611-69-2), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: (6-nitrocyclohex-3-en-1-yl)benzene.
Chemical Property Profile of (6-Nitrocyclohex-3-en-1-yl)benzene
Property Insights of (6-Nitrocyclohex-3-en-1-yl)benzene
The XLogP value of 3.0 indicates that (6-Nitrocyclohex-3-en-1-yl)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, (6-Nitrocyclohex-3-en-1-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Nitrocyclohex-3-en-1-yl)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 (6-Nitrocyclohex-3-en-1-yl)benzene?
The CAS number of (6-Nitrocyclohex-3-en-1-yl)benzene is 88611-69-2.
What is the molecular formula of (6-Nitrocyclohex-3-en-1-yl)benzene?
The molecular formula of (6-Nitrocyclohex-3-en-1-yl)benzene is C12H13NO2.
What is the molecular weight of (6-Nitrocyclohex-3-en-1-yl)benzene?
The molecular weight of (6-Nitrocyclohex-3-en-1-yl)benzene is 203.09 g/mol.
Where can I buy (6-Nitrocyclohex-3-en-1-yl)benzene?
You can request a quote for (6-Nitrocyclohex-3-en-1-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Nitrocyclohex-3-en-1-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (6-Nitrocyclohex-3-en-1-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.