SH869
TL;DR: SH869 (CAS 5448-86-2) is a chemical compound with molecular formula C15H22N6O4S2 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)thiomorpholine;sulfuric acid
Also Known As: SH869, SH 869, SH-869 ANHYDROUS, 2-Piperazinyl-4-thiomorpholinopyrido(3,2-d)pyrimidine sulfate, Pyrido(3,2-d)pyrimidine, 2-(1-piperazinyl)-4-(4-thiomorpholinyl)-, sulfate
| Molecular Formula | C15H22N6O4S2 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 0.3348 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.1144 |
| Heavy Atoms | 27 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 5448-86-2 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=CC=C3.OS(=O)(=O)O |
| InChIKey | LFTRQKDAMMVEMD-UHFFFAOYSA-N |
Product Overview
SH869 (CAS 5448-86-2), with molecular formula C15H22N6O4S2 and molecular weight 414.11 g/mol. IUPAC: 4-(2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)thiomorpholine;sulfuric acid.
Chemical Property Profile of SH869
Property Insights of SH869
The XLogP value of 0.3348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SH869. The TPSA of 165.0 Ų indicates high polarity, suggesting SH869 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SH869 has 3 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 SH869?
The CAS number of SH869 is 5448-86-2.
What is the molecular formula of SH869?
The molecular formula of SH869 is C15H22N6O4S2.
What is the molecular weight of SH869?
The molecular weight of SH869 is 414.11 g/mol.
Where can I buy SH869?
You can request a quote for SH869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SH869?
Yes, KEHONG BIO provides custom synthesis services for SH869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.