RefChem:235769
TL;DR: RefChem:235769 (CAS 59157-52-7) is a chemical compound with molecular formula C41H80O6S3Sn and molecular weight 884.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 3-[bis[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl]-octylstannyl]sulfanylpropanoate
Also Known As: Octyltintris(2-ethylhexyl 3-mercaptopropionate), Propanoic acid, ((octylstannylidyne)tris(thio))tris-, tris(2-ethylhexyl) ester, Tri(carboxyethane-2-thio)octylstannylidyne, tri(2-ethylhexyl) ester, 2-ethylhexyl 3-[bis[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl]-octylstannyl]sulfanylpropanoate, 10-Oxa-4,6-dithia-5-stannahexadecanoic acid, 12-ethyl-5-((3-((2-ethylhexyl)oxy)-3-oxopropyl)thio)-5-octyl-9-oxo-, 2-ethylhexyl ester
| Molecular Formula | C41H80O6S3Sn |
|---|---|
| Molecular Weight | 884.41 g/mol |
| LogP | 12.93 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 40 |
| Exact Mass | 884.4139 |
| Heavy Atoms | 51 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 59157-52-7 |
|---|---|
| SMILES | CCCCCCCC[Sn](SCCC(=O)OCC(CC)CCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC |
| InChIKey | PRCMHRHZMBQCLK-UHFFFAOYSA-K |
Product Overview
RefChem:235769 (CAS 59157-52-7), with molecular formula C41H80O6S3Sn and molecular weight 884.41 g/mol. IUPAC: 2-ethylhexyl 3-[bis[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl]-octylstannyl]sulfanylpropanoate.
Chemical Property Profile of RefChem:235769
Property Insights of RefChem:235769
The XLogP value of 12.93 indicates that RefChem:235769 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:235769 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:235769 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:235769?
The CAS number of RefChem:235769 is 59157-52-7.
What is the molecular formula of RefChem:235769?
The molecular formula of RefChem:235769 is C41H80O6S3Sn.
What is the molecular weight of RefChem:235769?
The molecular weight of RefChem:235769 is 884.41 g/mol.
Where can I buy RefChem:235769?
You can request a quote for RefChem:235769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235769?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.