2,4,6-Trimethylnitrosobenzene
TL;DR: 2,4,6-Trimethylnitrosobenzene (CAS 1196-12-9) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trimethyl-2-nitrosobenzene
Also Known As: Nitrosomesitylen, 1,3,5-trimethyl-2-nitrosobenzene, 2,4,6-Trimethylnitrosobenzene, Benzene, 1,3,5-trimethyl-2-nitroso-, 1-Nitroso-2,4,6-trimethylbenzene
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 1196-12-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N=O)C |
| InChIKey | FEKDDEQYKDNKJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trimethylnitrosobenzene (CAS 1196-12-9), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: 1,3,5-trimethyl-2-nitrosobenzene.
Chemical Property Profile of 2,4,6-Trimethylnitrosobenzene
Property Insights of 2,4,6-Trimethylnitrosobenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylnitrosobenzene. With a topological polar surface area (TPSA) of 29.4 Ų, 2,4,6-Trimethylnitrosobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylnitrosobenzene 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 2,4,6-Trimethylnitrosobenzene?
The CAS number of 2,4,6-Trimethylnitrosobenzene is 1196-12-9.
What is the molecular formula of 2,4,6-Trimethylnitrosobenzene?
The molecular formula of 2,4,6-Trimethylnitrosobenzene is C9H11NO.
What is the molecular weight of 2,4,6-Trimethylnitrosobenzene?
The molecular weight of 2,4,6-Trimethylnitrosobenzene is 149.08 g/mol.
Where can I buy 2,4,6-Trimethylnitrosobenzene?
You can request a quote for 2,4,6-Trimethylnitrosobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethylnitrosobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylnitrosobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.