6-Nitrosothymol
TL;DR: 6-Nitrosothymol (CAS 2364-54-7) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitroso-2-propan-2-ylphenol
Also Known As: Poloxime, 2-Isopropyl-5-methyl-4-nitrosophenol, 6-Nitrosothymol, Nitrosothymol, p-Nitrosothymol
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 2364-54-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=O)C(C)C)O |
| InChIKey | YQVCMSSJMLGWAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitrosothymol (CAS 2364-54-7), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 5-methyl-4-nitroso-2-propan-2-ylphenol.
Chemical Property Profile of 6-Nitrosothymol
Property Insights of 6-Nitrosothymol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitrosothymol. With a topological polar surface area (TPSA) of 49.7 Ų, 6-Nitrosothymol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Nitrosothymol has 1 hydrogen bond donor(s) and 3 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-Nitrosothymol?
The CAS number of 6-Nitrosothymol is 2364-54-7.
What is the molecular formula of 6-Nitrosothymol?
The molecular formula of 6-Nitrosothymol is C10H13NO2.
What is the molecular weight of 6-Nitrosothymol?
The molecular weight of 6-Nitrosothymol is 179.09 g/mol.
Where can I buy 6-Nitrosothymol?
You can request a quote for 6-Nitrosothymol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitrosothymol?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitrosothymol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.