Sitrin
TL;DR: Sitrin (CAS 8065-22-3) is a chemical compound with molecular formula C17H31ClN10S and molecular weight 442.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Also Known As: Sitrin, 1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-, mixt. with 6-chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine, 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine, 1,3,5-Triazine-2,4-diamine, N2,N4-bis(1-methylethyl)-6-(methylthio)-, mixt. with 6-chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine, 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine; 6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
| Molecular Formula | C17H31ClN10S |
|---|---|
| Molecular Weight | 442.21 g/mol |
| LogP | 3.6227 |
| Topological Polar Surface Area | 125.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.21423 |
| Heavy Atoms | 29 |
| Complexity | 691.6487 |
Chemical Identifiers
| CAS Number | 8065-22-3 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)Cl)NCC.CC(C)NC1=NC(=NC(=N1)SC)NC(C)C |
Product Overview
Sitrin (CAS 8065-22-3), with molecular formula C17H31ClN10S and molecular weight 442.21 g/mol. IUPAC: 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of Sitrin
Property Insights of Sitrin
The XLogP value of 3.6227 indicates that Sitrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Sitrin. Following Lipinski's Rule of Five, Sitrin has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sitrin?
The CAS number of Sitrin is 8065-22-3.
What is the molecular formula of Sitrin?
The molecular formula of Sitrin is C17H31ClN10S.
What is the molecular weight of Sitrin?
The molecular weight of Sitrin is 442.21 g/mol.
Where can I buy Sitrin?
You can request a quote for Sitrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitrin?
Yes, KEHONG BIO provides custom synthesis services for Sitrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.