RefChem:366296
TL;DR: RefChem:366296 (CAS 680214-83-9) is a chemical compound with molecular formula C21H22Cl2N3O3PS and molecular weight 497.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: O-[5-(3,4-dichlorobenzyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-yl] O,O-diethyl phosphothioate, [5-[(3,4-Dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-yl]oxy-diethoxy-sulfanylidene-lambda5-phosphane, O-[5-[(3,4-Dichlorophenyl)methyl]-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl] O,O-diethyl phosphorothioate, Phosphorothioic acid, O-[5-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl] O,O-diethyl ester, [5-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-yl]oxy-diethoxy-sulfanylidene-
| Molecular Formula | C21H22Cl2N3O3PS |
|---|---|
| Molecular Weight | 497.05 g/mol |
| LogP | 6.42092 |
| Topological Polar Surface Area | 66.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 497.04965 |
| Heavy Atoms | 31 |
| Complexity | 1092.7281 |
Chemical Identifiers
| CAS Number | 680214-83-9 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NC(=NC(=C1CC2=CC(=C(C=C2)Cl)Cl)C)C3=CC=CC=N3 |
Product Overview
RefChem:366296 (CAS 680214-83-9), with molecular formula C21H22Cl2N3O3PS and molecular weight 497.05 g/mol. IUPAC: [5-[(3,4-dichlorophenyl)methyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of RefChem:366296
Property Insights of RefChem:366296
The XLogP value of 6.42092 indicates that RefChem:366296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.36 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:366296. Following Lipinski's Rule of Five, RefChem:366296 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:366296?
The CAS number of RefChem:366296 is 680214-83-9.
What is the molecular formula of RefChem:366296?
The molecular formula of RefChem:366296 is C21H22Cl2N3O3PS.
What is the molecular weight of RefChem:366296?
The molecular weight of RefChem:366296 is 497.05 g/mol.
Where can I buy RefChem:366296?
You can request a quote for RefChem:366296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:366296?
Yes, KEHONG BIO provides custom synthesis services for RefChem:366296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.