2,4,6-Trinitrobenzenemethanol
TL;DR: 2,4,6-Trinitrobenzenemethanol (CAS 24577-68-2) is a chemical compound with molecular formula C7H5N3O7 and molecular weight 243.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trinitrophenyl)methanol
Also Known As: 2,4,6-Trinitrobenzyl alcohol, (2,4,6-Trinitrophenyl)methanol, 2,4,6-Trinitrobenzylalcohol, Benzenemethanol, 2,4,6-trinitro-, 2,4,6-TRINITROBENZENEMETHANOL
| Molecular Formula | C7H5N3O7 |
|---|---|
| Molecular Weight | 243.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.01276 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 24577-68-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])CO)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IFNVWRBEJGYFNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trinitrobenzenemethanol (CAS 24577-68-2), with molecular formula C7H5N3O7 and molecular weight 243.01 g/mol. IUPAC: (2,4,6-trinitrophenyl)methanol.
Chemical Property Profile of 2,4,6-Trinitrobenzenemethanol
Property Insights of 2,4,6-Trinitrobenzenemethanol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrobenzenemethanol. The TPSA of 158.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrobenzenemethanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrobenzenemethanol has 1 hydrogen bond donor(s) and 7 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 2,4,6-Trinitrobenzenemethanol?
The CAS number of 2,4,6-Trinitrobenzenemethanol is 24577-68-2.
What is the molecular formula of 2,4,6-Trinitrobenzenemethanol?
The molecular formula of 2,4,6-Trinitrobenzenemethanol is C7H5N3O7.
What is the molecular weight of 2,4,6-Trinitrobenzenemethanol?
The molecular weight of 2,4,6-Trinitrobenzenemethanol is 243.01 g/mol.
Where can I buy 2,4,6-Trinitrobenzenemethanol?
You can request a quote for 2,4,6-Trinitrobenzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrobenzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrobenzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.