![O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate structure](/static/products/939/93997-96-7.png)
O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate
TL;DR: O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate (CAS 93997-96-7) is a chemical compound with molecular formula C18H24N9O3PS4 and molecular weight 573.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis[(4-amino-2-methylsulfanylpyrimidin-5-yl)methoxy]phosphinothioyloxymethyl]-2-methylsulfanylpyrimidin-4-amine
Also Known As: 5-[bis[(4-amino-2-methylsulfanylpyrimidin-5-yl)methoxy]phosp, O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate, 5-[bis[(4-amino-2-methylsulfanylpyrimidin-5-yl)methoxy]phosphinothioyloxymethyl]-2-methylsulfanylpyrimidin-4-amine
| Molecular Formula | C18H24N9O3PS4 |
|---|---|
| Molecular Weight | 573.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 291.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 573.06226 |
| Heavy Atoms | 35 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 93997-96-7 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)N)COP(=S)(OCC2=CN=C(N=C2N)SC)OCC3=CN=C(N=C3N)SC |
| InChIKey | CUTAUQUWBCUJBB-UHFFFAOYSA-N |
Product Overview
O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate (CAS 93997-96-7), with molecular formula C18H24N9O3PS4 and molecular weight 573.06 g/mol. IUPAC: 5-[bis[(4-amino-2-methylsulfanylpyrimidin-5-yl)methoxy]phosphinothioyloxymethyl]-2-methylsulfanylpyrimidin-4-amine.
Chemical Property Profile of O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate
Property Insights of O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate. The TPSA of 291.0 Ų indicates high polarity, suggesting O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate?
The CAS number of O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate is 93997-96-7.
What is the molecular formula of O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate?
The molecular formula of O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate is C18H24N9O3PS4.
What is the molecular weight of O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate?
The molecular weight of O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate is 573.06 g/mol.
Where can I buy O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate?
You can request a quote for O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O,O-tris{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.