Dinitrocresols
TL;DR: Dinitrocresols (CAS 68191-07-1) 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.
4-methyl-2,3-dinitrophenol
Also Known As: 4-METHYL-2,3-DINITROPHENOL, Dinitrocresol, Dinitrocresols, Dinitromethylphenol, Methyldinitrophenol
| 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 | 68191-07-1 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HIQCTHFRLRVNPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dinitrocresols (CAS 68191-07-1), with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol. IUPAC: 4-methyl-2,3-dinitrophenol.
Chemical Property Profile of Dinitrocresols
Property Insights of Dinitrocresols
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinitrocresols. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinitrocresols. Following Lipinski's Rule of Five, Dinitrocresols 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 Dinitrocresols?
The CAS number of Dinitrocresols is 68191-07-1.
What is the molecular formula of Dinitrocresols?
The molecular formula of Dinitrocresols is C7H6N2O5.
What is the molecular weight of Dinitrocresols?
The molecular weight of Dinitrocresols is 198.03 g/mol.
Where can I buy Dinitrocresols?
You can request a quote for Dinitrocresols directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitrocresols?
Yes, KEHONG BIO provides custom synthesis services for Dinitrocresols and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.