Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate)
TL;DR: Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate) (CAS 19961-72-9) is a chemical compound with molecular formula C20H28O8P2S and molecular weight 490.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-diethoxyphosphoryloxyphenyl)sulfanylphenyl] diethyl phosphate
Also Known As: tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate), J1.243.891E, 4,4 -Thiobis[phenol (phosphoric acid diethyl)] ester, Tetraethyl sulfanediyldi(4,1-phenylene) bis(phosphate), [4-(4-diethoxyphosphoryloxyphenyl)sulfanylphenyl] diethyl ph
| Molecular Formula | C20H28O8P2S |
|---|---|
| Molecular Weight | 490.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 490.09802 |
| Heavy Atoms | 31 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 19961-72-9 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=O)(OCC)OCC |
| InChIKey | PJCQOPWSORDNJF-UHFFFAOYSA-N |
Product Overview
Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate) (CAS 19961-72-9), with molecular formula C20H28O8P2S and molecular weight 490.10 g/mol. IUPAC: [4-(4-diethoxyphosphoryloxyphenyl)sulfanylphenyl] diethyl phosphate.
Chemical Property Profile of Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate)
Property Insights of Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate)
The XLogP value of 4.5 indicates that Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate). Following Lipinski's Rule of Five, Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate) has 0 hydrogen bond donor(s) and 9 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 Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate)?
The CAS number of Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate) is 19961-72-9.
What is the molecular formula of Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate)?
The molecular formula of Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate) is C20H28O8P2S.
What is the molecular weight of Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate)?
The molecular weight of Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate) is 490.10 g/mol.
Where can I buy Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate)?
You can request a quote for Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate)?
Yes, KEHONG BIO provides custom synthesis services for Tetraethyl sulfanediyldibenzene-4,1-diyl bis(phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.