RefChem:548839
TL;DR: RefChem:548839 (CAS 67859-64-7) is a chemical compound with molecular formula C42H76O4S2Sn and molecular weight 828.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[dimethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (9Z,12Z)-octadeca-9,12-dienoate
Also Known As: EINECS 267-412-2, Dimethyltinbis(2-linoleoyloxyethylmercaptide), bis bis[ -octadeca-9,12-dienoate], 9,12-Octadecadienoic acid (9Z,12Z)-, (dimethylstannylene)bis(thio-2,1-ethanediyl) ester, (Dimethylstannylene)bis(thioethane-1,2-diyl) bis[(9Z,12Z)-octadeca-9,12-dienoate]
| Molecular Formula | C42H76O4S2Sn |
|---|---|
| Molecular Weight | 828.42 g/mol |
| LogP | 13.868 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 36 |
| Exact Mass | 828.4207 |
| Heavy Atoms | 49 |
| Complexity | 800.7431 |
Chemical Identifiers
| CAS Number | 67859-64-7 |
|---|---|
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(C)C |
Product Overview
RefChem:548839 (CAS 67859-64-7), with molecular formula C42H76O4S2Sn and molecular weight 828.42 g/mol. IUPAC: 2-[dimethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (9Z,12Z)-octadeca-9,12-dienoate.
Chemical Property Profile of RefChem:548839
Property Insights of RefChem:548839
The XLogP value of 13.868 indicates that RefChem:548839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:548839 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:548839 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:548839?
The CAS number of RefChem:548839 is 67859-64-7.
What is the molecular formula of RefChem:548839?
The molecular formula of RefChem:548839 is C42H76O4S2Sn.
What is the molecular weight of RefChem:548839?
The molecular weight of RefChem:548839 is 828.42 g/mol.
Where can I buy RefChem:548839?
You can request a quote for RefChem:548839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:548839?
Yes, KEHONG BIO provides custom synthesis services for RefChem:548839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.