RefChem:471959
TL;DR: RefChem:471959 (CAS 83547-95-9) is a chemical compound with molecular formula C30H57O7PS3 and molecular weight 656.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 2-bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]phosphorylsulfanylacetate
Also Known As: 2-Ethylhexyl 10-ethyl-4-((2-((2-ethylhexyl)oxy)-2-oxoethyl)thio)-7-oxo-8-oxa-3,5-dithia-4-phosphatetradecanoate 4-oxide, 8-Oxa-3,5-dithia-4-phosphatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-, 2-ethylhexyl ester, 4-oxide, 8-Oxa-3,5-dithia-4-phosphatetradecanoic acid, 10-ethyl-4-((2-((2-ethylhexyl)oxy)-2-oxoethyl)thio)-7-oxo-, 2-ethylhexyl ester, 4-oxide, 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-phosphatetradecanoate 4-oxide, Acetic acid, 2,2',2''-[phosphinylidynetris(thio)]tris-, triisooctyl ester
| Molecular Formula | C30H57O7PS3 |
|---|---|
| Molecular Weight | 656.30 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 30 |
| Exact Mass | 656.3004 |
| Heavy Atoms | 41 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 83547-95-9 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CSP(=O)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC |
| InChIKey | VCEOZBZYQYAEMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:471959 (CAS 83547-95-9), with molecular formula C30H57O7PS3 and molecular weight 656.30 g/mol. IUPAC: 2-ethylhexyl 2-bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]phosphorylsulfanylacetate.
Chemical Property Profile of RefChem:471959
Property Insights of RefChem:471959
The XLogP value of 9.8 indicates that RefChem:471959 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting RefChem:471959 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:471959 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 RefChem:471959?
The CAS number of RefChem:471959 is 83547-95-9.
What is the molecular formula of RefChem:471959?
The molecular formula of RefChem:471959 is C30H57O7PS3.
What is the molecular weight of RefChem:471959?
The molecular weight of RefChem:471959 is 656.30 g/mol.
Where can I buy RefChem:471959?
You can request a quote for RefChem:471959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:471959?
Yes, KEHONG BIO provides custom synthesis services for RefChem:471959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.