2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine
TL;DR: 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine (CAS 845-52-3) is a chemical compound with molecular formula C12H23N5O2S and molecular weight 301.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Also Known As: LAMBAST, MPMT, Caswell No. 098, Caswell number 098, LAMBAST [HSDB]
| Molecular Formula | C12H23N5O2S |
|---|---|
| Molecular Weight | 301.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 301.15726 |
| Heavy Atoms | 20 |
| Complexity | 218.0 |
| Melting Point | 55-59 °C |
| Solubility | INSOL IN WATER; VERY SOL IN ACETONE & BENZENE; SLIGHTLY SOL IN ETHANOL |
Chemical Identifiers
| CAS Number | 845-52-3 |
|---|---|
| SMILES | COCCCNC1=NC(=NC(=N1)SC)NCCCOC |
| InChIKey | FBMDQVBGIYSDTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine (CAS 845-52-3), with molecular formula C12H23N5O2S and molecular weight 301.16 g/mol. IUPAC: 2-N,4-N-bis(3-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine
Property Insights of 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine. Following Lipinski's Rule of Five, 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine has 2 hydrogen bond donor(s) and 8 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 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine?
The CAS number of 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine is 845-52-3.
What is the molecular formula of 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine?
The molecular formula of 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine is C12H23N5O2S.
What is the molecular weight of 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine?
The molecular weight of 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine is 301.16 g/mol.
Where can I buy 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine?
You can request a quote for 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.