Deisopropylatrazine
TL;DR: Deisopropylatrazine (CAS 1007-28-9) is a chemical compound with molecular formula C5H8ClN5 and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
Also Known As: Deisopropylatrazine, Atrazine-desisopropyl, Desethylsimazine, Desisopropyl Atrazine, deethylsimazine
| Molecular Formula | C5H8ClN5 |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.04683 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 1007-28-9 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)N)Cl |
| InChIKey | IVENSCMCQBJAKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Deisopropylatrazine (CAS 1007-28-9), with molecular formula C5H8ClN5 and molecular weight 173.05 g/mol. IUPAC: 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of Deisopropylatrazine
Property Insights of Deisopropylatrazine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deisopropylatrazine. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Deisopropylatrazine. Following Lipinski's Rule of Five, Deisopropylatrazine 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 Deisopropylatrazine?
The CAS number of Deisopropylatrazine is 1007-28-9.
What is the molecular formula of Deisopropylatrazine?
The molecular formula of Deisopropylatrazine is C5H8ClN5.
What is the molecular weight of Deisopropylatrazine?
The molecular weight of Deisopropylatrazine is 173.05 g/mol.
Where can I buy Deisopropylatrazine?
You can request a quote for Deisopropylatrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deisopropylatrazine?
Yes, KEHONG BIO provides custom synthesis services for Deisopropylatrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.