2-Bromo-4,6-bis(ethylamino)-S-triazine
TL;DR: 2-Bromo-4,6-bis(ethylamino)-S-triazine (CAS 3084-94-4) is a chemical compound with molecular formula C7H12BrN5 and molecular weight 245.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
Also Known As: Bromosimazine, 2-BROMO-4,6-BIS(ETHYLAMINO)-S-TRIAZINE, s-Triazine, 2-bromo-4,6-bis(ethylamino)-, 6-bromo-N2,N4-diethyl-1,3,5-triazine-2,4-diamine, 1,3,5-Triazine-2,4-diamine, 6-bromo-N,N'-diethyl-
| Molecular Formula | C7H12BrN5 |
|---|---|
| Molecular Weight | 245.03 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 | 245.0276 |
| Heavy Atoms | 13 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 3084-94-4 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)Br)NCC |
| InChIKey | XIQQKVWOQYCXAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4,6-bis(ethylamino)-S-triazine (CAS 3084-94-4), with molecular formula C7H12BrN5 and molecular weight 245.03 g/mol. IUPAC: 6-bromo-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 2-Bromo-4,6-bis(ethylamino)-S-triazine
Property Insights of 2-Bromo-4,6-bis(ethylamino)-S-triazine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4,6-bis(ethylamino)-S-triazine. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-4,6-bis(ethylamino)-S-triazine. Following Lipinski's Rule of Five, 2-Bromo-4,6-bis(ethylamino)-S-triazine 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 2-Bromo-4,6-bis(ethylamino)-S-triazine?
The CAS number of 2-Bromo-4,6-bis(ethylamino)-S-triazine is 3084-94-4.
What is the molecular formula of 2-Bromo-4,6-bis(ethylamino)-S-triazine?
The molecular formula of 2-Bromo-4,6-bis(ethylamino)-S-triazine is C7H12BrN5.
What is the molecular weight of 2-Bromo-4,6-bis(ethylamino)-S-triazine?
The molecular weight of 2-Bromo-4,6-bis(ethylamino)-S-triazine is 245.03 g/mol.
Where can I buy 2-Bromo-4,6-bis(ethylamino)-S-triazine?
You can request a quote for 2-Bromo-4,6-bis(ethylamino)-S-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4,6-bis(ethylamino)-S-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4,6-bis(ethylamino)-S-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.