特丁净
TL;DR: 特丁净 (CAS 886-50-0) is a chemical compound with molecular formula C10H19N5S and molecular weight 241.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
特丁净
2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Also Known As: Terbutryn, Shortstop, Igran, Terbutrex, Clarosan
| Molecular Formula | C10H19N5S |
|---|---|
| Molecular Weight | 241.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.13612 |
| Heavy Atoms | 16 |
| Complexity | 206.0 |
| Melting Point | 104 °C |
| Boiling Point | 154-160 °C at 0.06 mm Hg |
| Density | 1.115 at 20 °C |
| Solubility | Readily soluble in organic solvents |
| Vapor Pressure | 0.00000169 [mmHg] |
Chemical Identifiers
| CAS Number | 886-50-0 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)SC)NC(C)(C)C |
| InChIKey | IROINLKCQGIITA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
特丁净 (CAS 886-50-0), with molecular formula C10H19N5S and molecular weight 241.14 g/mol. IUPAC: 2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 特丁净
Property Insights of 特丁净
The XLogP value of 3.7 indicates that 特丁净 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 特丁净. Following Lipinski's Rule of Five, 特丁净 has 2 hydrogen bond donor(s) and 6 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 特丁净?
The CAS number of 特丁净 is 886-50-0.
What is the molecular formula of 特丁净?
The molecular formula of 特丁净 is C10H19N5S.
What is the molecular weight of 特丁净?
The molecular weight of 特丁净 is 241.14 g/mol.
Where can I buy 特丁净?
You can request a quote for 特丁净 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 特丁净?
Yes, KEHONG BIO provides custom synthesis services for 特丁净 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.