Deethylatrazine
TL;DR: Deethylatrazine (CAS 6190-65-4) is a chemical compound with molecular formula C6H10ClN5 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Also Known As: Deethylatrazine, Desethylatrazine, Atrazine-desethyl, Deethylatrazin, 4-Deethylatrazine
| Molecular Formula | C6H10ClN5 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06247 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
| Melting Point | 136 °C |
| Solubility | In distilled water, 3200 mg/L at 22 °C |
| Vapor Pressure | 0.0000933 [mmHg] |
Chemical Identifiers
| CAS Number | 6190-65-4 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)N)Cl |
| InChIKey | DFWFIQKMSFGDCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Deethylatrazine (CAS 6190-65-4), with molecular formula C6H10ClN5 and molecular weight 187.06 g/mol. IUPAC: 6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of Deethylatrazine
Property Insights of Deethylatrazine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deethylatrazine. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Deethylatrazine. Following Lipinski's Rule of Five, Deethylatrazine 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 Deethylatrazine?
The CAS number of Deethylatrazine is 6190-65-4.
What is the molecular formula of Deethylatrazine?
The molecular formula of Deethylatrazine is C6H10ClN5.
What is the molecular weight of Deethylatrazine?
The molecular weight of Deethylatrazine is 187.06 g/mol.
Where can I buy Deethylatrazine?
You can request a quote for Deethylatrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deethylatrazine?
Yes, KEHONG BIO provides custom synthesis services for Deethylatrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.