Phenol, 4-(1-methylethyl)-2,6-dinitro-
TL;DR: Phenol, 4-(1-methylethyl)-2,6-dinitro- (CAS 4097-47-6) is a chemical compound with molecular formula C9H10N2O5 and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitro-4-propan-2-ylphenol
Also Known As: 4-Isopropyl-2,6-dinitrophenol, 2,6-Dinitro-4-isopropylphenol, Phenol,6-dinitro-, 2,6-dinitro-4-propan-2-ylphenol, Phenol, 2,6-dinitro-4-isopropyl-
| Molecular Formula | C9H10N2O5 |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.05898 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 4097-47-6 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | FVMCLNZPDUOPJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4-(1-methylethyl)-2,6-dinitro- (CAS 4097-47-6), with molecular formula C9H10N2O5 and molecular weight 226.06 g/mol. IUPAC: 2,6-dinitro-4-propan-2-ylphenol.
Chemical Property Profile of Phenol, 4-(1-methylethyl)-2,6-dinitro-
Property Insights of Phenol, 4-(1-methylethyl)-2,6-dinitro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 4-(1-methylethyl)-2,6-dinitro-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4-(1-methylethyl)-2,6-dinitro-. Following Lipinski's Rule of Five, Phenol, 4-(1-methylethyl)-2,6-dinitro- has 1 hydrogen bond donor(s) and 5 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 Phenol, 4-(1-methylethyl)-2,6-dinitro-?
The CAS number of Phenol, 4-(1-methylethyl)-2,6-dinitro- is 4097-47-6.
What is the molecular formula of Phenol, 4-(1-methylethyl)-2,6-dinitro-?
The molecular formula of Phenol, 4-(1-methylethyl)-2,6-dinitro- is C9H10N2O5.
What is the molecular weight of Phenol, 4-(1-methylethyl)-2,6-dinitro-?
The molecular weight of Phenol, 4-(1-methylethyl)-2,6-dinitro- is 226.06 g/mol.
Where can I buy Phenol, 4-(1-methylethyl)-2,6-dinitro-?
You can request a quote for Phenol, 4-(1-methylethyl)-2,6-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-(1-methylethyl)-2,6-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-(1-methylethyl)-2,6-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.