RefChem:235770
TL;DR: RefChem:235770 (CAS 61241-05-2) is a chemical compound with molecular formula C37H72O6S3Sn and molecular weight 828.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 3-[butyl-bis[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate
Also Known As: Butyltintris(2-ethylhexyl 3-mercaptopropionate), 6-(4-aminophenyl)-1h-benzimidazol-2-amine, Tri(carboxyethane-2-thio)butyl stannylidyne, tri(2-ethylhexyl) ester, Propanoic acid, 3,3',3''-((butylstannylidyne)trithio)tris-, tris(2-ethylhexyl) ester, 10-Oxa-4,6-dithia-5-stannahexadecanoic acid, 5-butyl-12-ethyl-5-((3-((2-ethylhexyl)oxy)-3-oxopropyl)thio)-9-oxo-, 2-ethylhexyl ester
| Molecular Formula | C37H72O6S3Sn |
|---|---|
| Molecular Weight | 828.35 g/mol |
| LogP | 11.37 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 36 |
| Exact Mass | 828.3513 |
| Heavy Atoms | 47 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 61241-05-2 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCS[Sn](CCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC |
| InChIKey | WMEIKWMPSNOSKG-UHFFFAOYSA-K |
Product Overview
RefChem:235770 (CAS 61241-05-2), with molecular formula C37H72O6S3Sn and molecular weight 828.35 g/mol. IUPAC: 2-ethylhexyl 3-[butyl-bis[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate.
Chemical Property Profile of RefChem:235770
Property Insights of RefChem:235770
The XLogP value of 11.37 indicates that RefChem:235770 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:235770 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:235770 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:235770?
The CAS number of RefChem:235770 is 61241-05-2.
What is the molecular formula of RefChem:235770?
The molecular formula of RefChem:235770 is C37H72O6S3Sn.
What is the molecular weight of RefChem:235770?
The molecular weight of RefChem:235770 is 828.35 g/mol.
Where can I buy RefChem:235770?
You can request a quote for RefChem:235770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235770?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.