特乐酚
TL;DR: 特乐酚 (CAS 1420-07-1) is a chemical compound with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
特乐酚
2-tert-butyl-4,6-dinitrophenol
Also Known As: DINOTERB, Dinoterbe, Herbogil, Dntbp, Stirpan forte
| Molecular Formula | C10H12N2O5 |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.07462 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
| Melting Point | 126.1 °C |
| Boiling Point | Decomposes above 220 °C |
| Solubility | In water, 4.5 mg/L at pH 5, 20 °C |
| Vapor Pressure | 0.0000011 [mmHg] |
Chemical Identifiers
| CAS Number | 1420-07-1 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | IIPZYDQGBIWLBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
特乐酚 (CAS 1420-07-1), with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol. IUPAC: 2-tert-butyl-4,6-dinitrophenol.
Chemical Property Profile of 特乐酚
Property Insights of 特乐酚
The XLogP value of 3.4 indicates that 特乐酚 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 特乐酚. Following Lipinski's Rule of Five, 特乐酚 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 特乐酚?
The CAS number of 特乐酚 is 1420-07-1.
What is the molecular formula of 特乐酚?
The molecular formula of 特乐酚 is C10H12N2O5.
What is the molecular weight of 特乐酚?
The molecular weight of 特乐酚 is 240.07 g/mol.
Where can I buy 特乐酚?
You can request a quote for 特乐酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 特乐酚?
Yes, KEHONG BIO provides custom synthesis services for 特乐酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.