![[5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane structure](/static/products/6802/680214-54-4.webp)
[5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane
TL;DR: [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane (CAS 680214-54-4) is a chemical compound with molecular formula C17H17ClFN2O3PS2 and molecular weight 446.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane|O-[5-(2-Chloro-6-fluorobenzyl)-6-methyl-2-(prop-2-ynylthio)pyrimidin-4-yl] O,O-dimethyl phosphothioa|O-[5-(2-chloro-6-fluorobenzyl)-6-methyl-2-(prop-2-ynylthio)pyrimidin-4-yl] O,O-dimethyl phosphothioate|[5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-|5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-(prop-2-yn-1-ylsulfanyl)pyrimidin-4-yl methyl methoxy(sulfanylidene)phosphonite|O-[5-(2-Chloro-6-fluorobenzyl)-6-methyl-2-(prop-2-ynylthio)pyrimidin-4-yl] O,O-dimethyl phosphothioate, 98%
| Molecular Formula | C17H17ClFN2O3PS2 |
|---|---|
| Molecular Weight | 446.01 g/mol |
| LogP | 4.78972 |
| Topological Polar Surface Area | 53.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.00906 |
| Heavy Atoms | 27 |
| Complexity | 895.53204 |
Chemical Identifiers
| CAS Number | 680214-54-4 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SCC#C)OP(=S)(OC)OC)CC2=C(C=CC=C2Cl)F |
Product Overview
[5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane (CAS 680214-54-4), with molecular formula C17H17ClFN2O3PS2 and molecular weight 446.01 g/mol. IUPAC: [5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane
Property Insights of [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane
The XLogP value of 4.78972 indicates that [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.47 Ų, [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane has 0 hydrogen bond donor(s) and 7 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 [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane?
The CAS number of [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane is 680214-54-4.
What is the molecular formula of [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane?
The molecular formula of [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane is C17H17ClFN2O3PS2.
What is the molecular weight of [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane?
The molecular weight of [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane is 446.01 g/mol.
Where can I buy [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane?
You can request a quote for [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane?
Yes, KEHONG BIO provides custom synthesis services for [5-[(2-Chloro-6-fluorophenyl)methyl]-6-methyl-2-prop-2-ynylsulfanylpyrimidin-4-yl]oxy-dimethoxy-sulfanylidene-lambda5-phosphane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.