C64H114O6S3Sn
TL;DR: C64H114O6S3Sn (CAS 68928-37-0) is a chemical compound with molecular formula C64H114O6S3Sn and molecular weight 1194.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butyl-bis(2-octadeca-9,12-dienoyloxyethylsulfanyl)stannyl]sulfanylethyl octadeca-9,12-dienoate
Also Known As: tris tris[-octadeca-9,12-dienoate], Butyltintris(2-linoleoyloxyethylmercaptide), 9,12-Octadecadienoic acid (9Z,12Z)-, (butylstannylidyne)tris(thio-2,1-ethanediyl) ester, (BUTYLSTANNYLIDYNE)TRIS(THIOETHANE-1,2-DIYL) TRIS[(9Z,12Z)-OCTADECA-9,12-DIENOATE], 9,12-Octadecadienoic acid (Z,Z)-, (butylstannylidyne)tris(thio-2,1-ethanediyl) ester
| Molecular Formula | C64H114O6S3Sn |
|---|---|
| Molecular Weight | 1194.68 g/mol |
| LogP | 21.0 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 60 |
| Exact Mass | 1194.6799 |
| Heavy Atoms | 74 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 68928-37-0 |
|---|---|
| SMILES | CCCCCC=CCC=CCCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCCC=CCC=CCCCCC)SCCOC(=O)CCCCCCCC=CCC=CCCCCC |
| InChIKey | VBQRXXAUSIBEAS-UHFFFAOYSA-K |
Product Overview
C64H114O6S3Sn (CAS 68928-37-0), with molecular formula C64H114O6S3Sn and molecular weight 1194.68 g/mol. IUPAC: 2-[butyl-bis(2-octadeca-9,12-dienoyloxyethylsulfanyl)stannyl]sulfanylethyl octadeca-9,12-dienoate.
Chemical Property Profile of C64H114O6S3Sn
Property Insights of C64H114O6S3Sn
The XLogP value of 21.0 indicates that C64H114O6S3Sn is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting C64H114O6S3Sn may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C64H114O6S3Sn has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C64H114O6S3Sn?
The CAS number of C64H114O6S3Sn is 68928-37-0.
What is the molecular formula of C64H114O6S3Sn?
The molecular formula of C64H114O6S3Sn is C64H114O6S3Sn.
What is the molecular weight of C64H114O6S3Sn?
The molecular weight of C64H114O6S3Sn is 1194.68 g/mol.
Where can I buy C64H114O6S3Sn?
You can request a quote for C64H114O6S3Sn directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C64H114O6S3Sn?
Yes, KEHONG BIO provides custom synthesis services for C64H114O6S3Sn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.