扑草净
TL;DR: 扑草净 (CAS 7287-19-6) 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.
扑草净
6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Also Known As: prometryn, Prometryne, Caparol, Gesagard, Prometrex
| Molecular Formula | C10H19N5S |
|---|---|
| Molecular Weight | 241.14 g/mol |
| LogP | 3.5 |
| 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 | 182.0 |
| Melting Point | 119 °C |
| Density | 1.157 g/cu cm at 20 °C |
| Solubility | Solubilities in organic solvents at 25 °C. [Table#4783] |
| Vapor Pressure | 0.000002 [mmHg] |
Chemical Identifiers
| CAS Number | 7287-19-6 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)SC)NC(C)C |
| InChIKey | AAEVYOVXGOFMJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
扑草净 (CAS 7287-19-6), with molecular formula C10H19N5S and molecular weight 241.14 g/mol. IUPAC: 6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 扑草净
Property Insights of 扑草净
The XLogP value of 3.5 indicates that 扑草净 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 扑草净. Following Lipinski's Rule of Five, 扑草净 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 扑草净?
The CAS number of 扑草净 is 7287-19-6.
What is the molecular formula of 扑草净?
The molecular formula of 扑草净 is C10H19N5S.
What is the molecular weight of 扑草净?
The molecular weight of 扑草净 is 241.14 g/mol.
Where can I buy 扑草净?
You can request a quote for 扑草净 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 扑草净?
Yes, KEHONG BIO provides custom synthesis services for 扑草净 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.