Methyltin tris(2-ethylhexyl 3-mercaptopropionate)
TL;DR: Methyltin tris(2-ethylhexyl 3-mercaptopropionate) (CAS 57105-89-2) is a chemical compound with molecular formula C34H66O6S3Sn and molecular weight 786.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 3-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylmethyl-[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl-methylstannyl]sulfanylpropanoate
Also Known As: Methyltin tris(2-ethylhexyl 3-mercaptopropionate), Methyltintris(2-ethylhexyl 3-mercaptopropionate), 10-Oxa-4,6-dithia-5-stannahexadecanoic acid, 12-ethyl-5-((3-((2-ethylhexyl)oxy)-3-oxopropyl)thio)-5-methyl-9-oxo-, 2-ethylhexyl ester
| Molecular Formula | C34H66O6S3Sn |
|---|---|
| Molecular Weight | 786.30 g/mol |
| LogP | 9.8562 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 30 |
| Exact Mass | 786.3044 |
| Heavy Atoms | 44 |
| Complexity | 648.7057 |
Chemical Identifiers
| CAS Number | 57105-89-2 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCS[Sn](C)(CSCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC |
Product Overview
Methyltin tris(2-ethylhexyl 3-mercaptopropionate) (CAS 57105-89-2), with molecular formula C34H66O6S3Sn and molecular weight 786.30 g/mol. IUPAC: 2-ethylhexyl 3-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylmethyl-[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl-methylstannyl]sulfanylpropanoate.
Chemical Property Profile of Methyltin tris(2-ethylhexyl 3-mercaptopropionate)
Property Insights of Methyltin tris(2-ethylhexyl 3-mercaptopropionate)
The XLogP value of 9.8562 indicates that Methyltin tris(2-ethylhexyl 3-mercaptopropionate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyltin tris(2-ethylhexyl 3-mercaptopropionate). Following Lipinski's Rule of Five, Methyltin tris(2-ethylhexyl 3-mercaptopropionate) 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 Methyltin tris(2-ethylhexyl 3-mercaptopropionate)?
The CAS number of Methyltin tris(2-ethylhexyl 3-mercaptopropionate) is 57105-89-2.
What is the molecular formula of Methyltin tris(2-ethylhexyl 3-mercaptopropionate)?
The molecular formula of Methyltin tris(2-ethylhexyl 3-mercaptopropionate) is C34H66O6S3Sn.
What is the molecular weight of Methyltin tris(2-ethylhexyl 3-mercaptopropionate)?
The molecular weight of Methyltin tris(2-ethylhexyl 3-mercaptopropionate) is 786.30 g/mol.
Where can I buy Methyltin tris(2-ethylhexyl 3-mercaptopropionate)?
You can request a quote for Methyltin tris(2-ethylhexyl 3-mercaptopropionate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyltin tris(2-ethylhexyl 3-mercaptopropionate)?
Yes, KEHONG BIO provides custom synthesis services for Methyltin tris(2-ethylhexyl 3-mercaptopropionate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.