Dinitro-o-cresol
TL;DR: Dinitro-o-cresol (CAS 1335-85-9) 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.
2-methyl-3,4-dinitrophenol
Also Known As: Dinitro-o-cresol, 2-Methyldinitrophenol, dinitrokresol, o-Cresol, dinitro-, Dinitroocresol
| Molecular Formula | C7H6N2O5 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 1.51702 |
| Topological Polar Surface Area | 106.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.02766 |
| Heavy Atoms | 14 |
| Complexity | 414.78635 |
Chemical Identifiers
| CAS Number | 1335-85-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1[N+](=O)[O-])[N+](=O)[O-])O |
Product Overview
Dinitro-o-cresol (CAS 1335-85-9), with molecular formula C7H6N2O5 and molecular weight 198.03 g/mol. IUPAC: 2-methyl-3,4-dinitrophenol.
Chemical Property Profile of Dinitro-o-cresol
Property Insights of Dinitro-o-cresol
The XLogP value of 1.51702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinitro-o-cresol. The TPSA of 106.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinitro-o-cresol. Following Lipinski's Rule of Five, Dinitro-o-cresol 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 Dinitro-o-cresol?
The CAS number of Dinitro-o-cresol is 1335-85-9.
What is the molecular formula of Dinitro-o-cresol?
The molecular formula of Dinitro-o-cresol is C7H6N2O5.
What is the molecular weight of Dinitro-o-cresol?
The molecular weight of Dinitro-o-cresol is 198.03 g/mol.
Where can I buy Dinitro-o-cresol?
You can request a quote for Dinitro-o-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitro-o-cresol?
Yes, KEHONG BIO provides custom synthesis services for Dinitro-o-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.