西玛津
TL;DR: 西玛津 (CAS 122-34-9) is a chemical compound with molecular formula C7H12ClN5 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西玛津
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
Also Known As: simazine, Gesatop, Princep, Simanex, Gesapun
| Molecular Formula | C7H12ClN5 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.07812 |
| Heavy Atoms | 13 |
| Complexity | 131.0 |
| Melting Point | 437 to 227.2 °C |
| Density | 1.302 at 20.0 °C |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | 6.1e-09 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 122-34-9 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)Cl)NCC |
| InChIKey | ODCWYMIRDDJXKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
西玛津 (CAS 122-34-9), with molecular formula C7H12ClN5 and molecular weight 201.08 g/mol. IUPAC: 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 西玛津
Property Insights of 西玛津
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 西玛津. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 西玛津. Following Lipinski's Rule of Five, 西玛津 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 西玛津?
The CAS number of 西玛津 is 122-34-9.
What is the molecular formula of 西玛津?
The molecular formula of 西玛津 is C7H12ClN5.
What is the molecular weight of 西玛津?
The molecular weight of 西玛津 is 201.08 g/mol.
Where can I buy 西玛津?
You can request a quote for 西玛津 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西玛津?
Yes, KEHONG BIO provides custom synthesis services for 西玛津 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.