草脫淨
TL;DR: 草脫淨 (CAS 1912-24-9) is a chemical compound with molecular formula C8H14ClN5 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草脫淨
6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Also Known As: atrazine, Gesaprim, Atranex, Aatrex, Atrazin
| Molecular Formula | C8H14ClN5 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.09378 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
| Melting Point | 347 to 177.2 °C |
| Boiling Point | Decomposes |
| Density | 1.2 at 20.0 °C (est) |
| Solubility | less than 1 mg/mL at 67.1 °F (NTP, 1992) |
| Vapor Pressure | 3e-07 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 1912-24-9 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)Cl)NC(C)C |
| InChIKey | MXWJVTOOROXGIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
草脫淨 (CAS 1912-24-9), with molecular formula C8H14ClN5 and molecular weight 215.09 g/mol. IUPAC: 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 草脫淨
Property Insights of 草脫淨
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 草脫淨. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 草脫淨. Following Lipinski's Rule of Five, 草脫淨 has 2 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 草脫淨?
The CAS number of 草脫淨 is 1912-24-9.
What is the molecular formula of 草脫淨?
The molecular formula of 草脫淨 is C8H14ClN5.
What is the molecular weight of 草脫淨?
The molecular weight of 草脫淨 is 215.09 g/mol.
Where can I buy 草脫淨?
You can request a quote for 草脫淨 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草脫淨?
Yes, KEHONG BIO provides custom synthesis services for 草脫淨 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.