Medinoterb
TL;DR: Medinoterb (CAS 3996-59-6) is a chemical compound with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-3-methyl-2,4-dinitrophenol
Also Known As: Caswell No. 128BB, Medinoterb [ISO:BSI], 6-tert-Butyl-3-methyl-2,4-dinitrophenol, MEDINOTERB [ISO], 2-tert-Butyl-4,6-dinitro-m-cresol
| Molecular Formula | C11H14N2O5 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.09027 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 3996-59-6 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1[N+](=O)[O-])O)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | LJGZUMNXGLDTFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Medinoterb (CAS 3996-59-6), with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol. IUPAC: 6-tert-butyl-3-methyl-2,4-dinitrophenol.
Chemical Property Profile of Medinoterb
Property Insights of Medinoterb
The XLogP value of 3.8 indicates that Medinoterb is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Medinoterb. Following Lipinski's Rule of Five, Medinoterb 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 Medinoterb?
The CAS number of Medinoterb is 3996-59-6.
What is the molecular formula of Medinoterb?
The molecular formula of Medinoterb is C11H14N2O5.
What is the molecular weight of Medinoterb?
The molecular weight of Medinoterb is 254.09 g/mol.
Where can I buy Medinoterb?
You can request a quote for Medinoterb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Medinoterb?
Yes, KEHONG BIO provides custom synthesis services for Medinoterb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.