Phenol, 3-methyl-2,4-dinitro-
TL;DR: Phenol, 3-methyl-2,4-dinitro- (CAS 1817-66-9) is a chemical compound with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,4-dinitrophenol
Also Known As: 3-METHYL-2,4-DINITROPHENOL, dinitro-m-cresol, Phenol, 3-methyl-2,4-dinitro-, 2,4-Dinitro-3-methylphenol, 3-methyl-2,4-dinitro-phenol
| Molecular Formula | C7H6N2O5 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.02766 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 1817-66-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | LDWQQNOSQNSCTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 3-methyl-2,4-dinitro- (CAS 1817-66-9), with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol. IUPAC: 3-methyl-2,4-dinitrophenol.
Chemical Property Profile of Phenol, 3-methyl-2,4-dinitro-
Property Insights of Phenol, 3-methyl-2,4-dinitro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3-methyl-2,4-dinitro-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 3-methyl-2,4-dinitro-. Following Lipinski's Rule of Five, Phenol, 3-methyl-2,4-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, 3-methyl-2,4-dinitro-?
The CAS number of Phenol, 3-methyl-2,4-dinitro- is 1817-66-9.
What is the molecular formula of Phenol, 3-methyl-2,4-dinitro-?
The molecular formula of Phenol, 3-methyl-2,4-dinitro- is C7H6N2O5.
What is the molecular weight of Phenol, 3-methyl-2,4-dinitro-?
The molecular weight of Phenol, 3-methyl-2,4-dinitro- is 198.03 g/mol.
Where can I buy Phenol, 3-methyl-2,4-dinitro-?
You can request a quote for Phenol, 3-methyl-2,4-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-methyl-2,4-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-methyl-2,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.