RefChem:548335
TL;DR: RefChem:548335 (CAS 72259-65-5) is a chemical compound with molecular formula C52H102O6S3Sn and molecular weight 1038.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetradecyl 2-[butyl-bis[(2-oxo-2-tetradecoxyethyl)sulfanyl]stannyl]sulfanylacetate
Also Known As: Monobutyltin tris(myristyl mercaptoacetate), tritetradecyl2,2',2''-[tris]triacetate, tritetradecyl2,2',2''-[ tris ]triacetate, Tritetradecyl 2,2',2''-[(butylstannylidyne)tris(thio)]triacetate, Acetic acid, 2,2',2''-[(butylstannylidyne)tris(thio)]tris-, tritetradecyl ester
| Molecular Formula | C52H102O6S3Sn |
|---|---|
| Molecular Weight | 1038.59 g/mol |
| LogP | 17.6579 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 54 |
| Exact Mass | 1038.586 |
| Heavy Atoms | 62 |
| Complexity | 861.0 |
Chemical Identifiers
| CAS Number | 72259-65-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(SCC(=O)OCCCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCCCC |
| InChIKey | CSQUOHWEHXEIMB-UHFFFAOYSA-K |
Product Overview
RefChem:548335 (CAS 72259-65-5), with molecular formula C52H102O6S3Sn and molecular weight 1038.59 g/mol. IUPAC: tetradecyl 2-[butyl-bis[(2-oxo-2-tetradecoxyethyl)sulfanyl]stannyl]sulfanylacetate.
Chemical Property Profile of RefChem:548335
Property Insights of RefChem:548335
The XLogP value of 17.6579 indicates that RefChem:548335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:548335 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:548335 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 RefChem:548335?
The CAS number of RefChem:548335 is 72259-65-5.
What is the molecular formula of RefChem:548335?
The molecular formula of RefChem:548335 is C52H102O6S3Sn.
What is the molecular weight of RefChem:548335?
The molecular weight of RefChem:548335 is 1038.59 g/mol.
Where can I buy RefChem:548335?
You can request a quote for RefChem:548335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:548335?
Yes, KEHONG BIO provides custom synthesis services for RefChem:548335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.