![O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate structure](/static/products/1293/129379-80-2.webp)
O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate
TL;DR: O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate (CAS 129379-80-2) is a chemical compound with molecular formula C20H44N2O8P2S2 and molecular weight 566.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(16-diethoxyphosphinothioyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate, O,O,O',O'-tetraethyl 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyldiphosphonothioate, tetraethoxy 1,4,10,13-tetraoxa-7,16-diaza-7,16-cyclooctadecanediylbis( phosphorothioate), (16-diethoxyphosphinothioyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)-diethoxy-sulfanylidene-, (16-diethoxyphosphinothioyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)-diethoxy-sulfanylidene-lambda5-phosphane
| Molecular Formula | C20H44N2O8P2S2 |
|---|---|
| Molecular Weight | 566.20 g/mol |
| LogP | 3.2654 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.2014 |
| Heavy Atoms | 34 |
| Complexity | 518.9208 |
Chemical Identifiers
| CAS Number | 129379-80-2 |
|---|---|
| SMILES | CCOP(=S)(N1CCOCCOCCN(CCOCCOCC1)P(=S)(OCC)OCC)OCC |
Product Overview
O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate (CAS 129379-80-2), with molecular formula C20H44N2O8P2S2 and molecular weight 566.20 g/mol. IUPAC: (16-diethoxyphosphinothioyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate
Property Insights of O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate
The XLogP value of 3.2654 indicates that O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate. Following Lipinski's Rule of Five, O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate has 0 hydrogen bond donor(s) and 10 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-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate?
The CAS number of O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate is 129379-80-2.
What is the molecular formula of O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate?
The molecular formula of O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate is C20H44N2O8P2S2.
What is the molecular weight of O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate?
The molecular weight of O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate is 566.20 g/mol.
Where can I buy O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate?
You can request a quote for O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-diethyl {16-[diethoxy(sulfanylidene)-lambda5-phosphanyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl}phosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.