![O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate structure](/static/products/911/91114-29-3.png)
O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate
TL;DR: O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate (CAS 91114-29-3) is a chemical compound with molecular formula C6H8Cl2N3OPS2 and molecular weight 302.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dichlorophosphinothioyloxymethyl)-2-methylsulfanylpyrimidin-4-amine
Also Known As: N-
| Molecular Formula | C6H8Cl2N3OPS2 |
|---|---|
| Molecular Weight | 302.92 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.92233 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 91114-29-3 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)N)COP(=S)(Cl)Cl |
| InChIKey | XVDLSSPARIZEJU-UHFFFAOYSA-N |
Product Overview
O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate (CAS 91114-29-3), with molecular formula C6H8Cl2N3OPS2 and molecular weight 302.92 g/mol. IUPAC: 5-(dichlorophosphinothioyloxymethyl)-2-methylsulfanylpyrimidin-4-amine.
Chemical Property Profile of O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate
Property Insights of O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate
The XLogP value of 3.0 indicates that O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate. Following Lipinski's Rule of Five, O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate has 1 hydrogen bond donor(s) and 6 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 O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate?
The CAS number of O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate is 91114-29-3.
What is the molecular formula of O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate?
The molecular formula of O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate is C6H8Cl2N3OPS2.
What is the molecular weight of O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate?
The molecular weight of O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate is 302.92 g/mol.
Where can I buy O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate?
You can request a quote for O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate?
Yes, KEHONG BIO provides custom synthesis services for O-{[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl} phosphorodichloridothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.