2-Methyl-3,5-dinitrobenzenemethanol
TL;DR: 2-Methyl-3,5-dinitrobenzenemethanol (CAS 80866-94-0) is a chemical compound with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-3,5-dinitrophenyl)methanol
Also Known As: (2-Methyl-3,5-dinitrophenyl)methanol, 2-Methyl-3,5-dinitrobenzyl alcohol, 3,5-Dinitro-2-methylbenzyl alcohol, EINECS 279-597-7, 2-Methyl-3,5-dinitrobenzenemethanol
| Molecular Formula | C8H8N2O5 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.04332 |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 80866-94-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CO |
| InChIKey | HLBXFLNVFJFEKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3,5-dinitrobenzenemethanol (CAS 80866-94-0), with molecular formula C8H8N2O5 and molecular weight 212.04 g/mol. IUPAC: (2-methyl-3,5-dinitrophenyl)methanol.
Chemical Property Profile of 2-Methyl-3,5-dinitrobenzenemethanol
Property Insights of 2-Methyl-3,5-dinitrobenzenemethanol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3,5-dinitrobenzenemethanol. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3,5-dinitrobenzenemethanol. Following Lipinski's Rule of Five, 2-Methyl-3,5-dinitrobenzenemethanol 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 2-Methyl-3,5-dinitrobenzenemethanol?
The CAS number of 2-Methyl-3,5-dinitrobenzenemethanol is 80866-94-0.
What is the molecular formula of 2-Methyl-3,5-dinitrobenzenemethanol?
The molecular formula of 2-Methyl-3,5-dinitrobenzenemethanol is C8H8N2O5.
What is the molecular weight of 2-Methyl-3,5-dinitrobenzenemethanol?
The molecular weight of 2-Methyl-3,5-dinitrobenzenemethanol is 212.04 g/mol.
Where can I buy 2-Methyl-3,5-dinitrobenzenemethanol?
You can request a quote for 2-Methyl-3,5-dinitrobenzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3,5-dinitrobenzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3,5-dinitrobenzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.