2-Nitrosotoluene
TL;DR: 2-Nitrosotoluene (CAS 611-23-4) is a chemical compound with molecular formula C7H7NO and molecular weight 121.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-nitrosobenzene
Also Known As: 2-Nitrosotoluene, o-Nitrosotoluene, 1-Methyl-2-nitrosobenzene, o-Methylnitrosobenzene, Nitrosotoluene
| Molecular Formula | C7H7NO |
|---|---|
| Molecular Weight | 121.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.052765 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
| Melting Point | 72.5 °C |
Chemical Identifiers
| CAS Number | 611-23-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N=O |
| InChIKey | TWLBRQVYXPMCFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrosotoluene (CAS 611-23-4), with molecular formula C7H7NO and molecular weight 121.05 g/mol. IUPAC: 1-methyl-2-nitrosobenzene.
Chemical Property Profile of 2-Nitrosotoluene
Property Insights of 2-Nitrosotoluene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrosotoluene. With a topological polar surface area (TPSA) of 29.4 Ų, 2-Nitrosotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitrosotoluene 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-Nitrosotoluene?
The CAS number of 2-Nitrosotoluene is 611-23-4.
What is the molecular formula of 2-Nitrosotoluene?
The molecular formula of 2-Nitrosotoluene is C7H7NO.
What is the molecular weight of 2-Nitrosotoluene?
The molecular weight of 2-Nitrosotoluene is 121.05 g/mol.
Where can I buy 2-Nitrosotoluene?
You can request a quote for 2-Nitrosotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrosotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrosotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.