RefChem:538421
TL;DR: RefChem:538421 (CAS 70942-36-8) is a chemical compound with molecular formula C28H48O12S3Sn and molecular weight 792.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[2-[butyl-bis[2-(5-methoxy-5-oxopentanoyl)oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-methyl pentanedioate
Also Known As: 6,14-Dioxa-9,11-dithia-10-stannanonadecanedioic acid, 10-butyl-10-[[2-[(5-methoxy-1,5-dioxopentyl)oxy]ethyl]thio]-5,15-dioxo-, dimethyl ester, 6,14-Dioxa-9,11-dithia-10-stannanonadecanedioic acid, 10-butyl-10-((2-((5-methoxy-1,5-dioxopentyl)oxy)ethyl)thio)-5,15-dioxo-, 1,19-dimethyl ester, 6,14-Dioxa-9,11-dithia-10-stannanonadecanedioic acid, 10-butyl-10-((2-((5-methoxy-1,5-dioxopentyl)oxy)ethyl)thio)-5,15-dioxo-, dimethyl ester, 5-O-[2-[butyl-bis[2-(5-methoxy-5-oxopentanoyl)oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-methyl pentanedioate, 6,14-Dioxa-9,11-dithia-10-stannanonadecanedioic acid, 10-butyl-10-[[2-[(5-methoxy-1,5-dioxopentyl)oxy]ethyl]thio]-5,15-dioxo-, 1,19-dimethyl ester
| Molecular Formula | C28H48O12S3Sn |
|---|---|
| Molecular Weight | 792.13 g/mol |
| LogP | 4.58 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 33 |
| Exact Mass | 792.133 |
| Heavy Atoms | 44 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 70942-36-8 |
|---|---|
| SMILES | CCCC[Sn](SCCOC(=O)CCCC(=O)OC)(SCCOC(=O)CCCC(=O)OC)SCCOC(=O)CCCC(=O)OC |
| InChIKey | CAKFTADZGWLUAD-UHFFFAOYSA-K |
Product Overview
RefChem:538421 (CAS 70942-36-8), with molecular formula C28H48O12S3Sn and molecular weight 792.13 g/mol. IUPAC: 5-O-[2-[butyl-bis[2-(5-methoxy-5-oxopentanoyl)oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-methyl pentanedioate.
Chemical Property Profile of RefChem:538421
Property Insights of RefChem:538421
The XLogP value of 4.58 indicates that RefChem:538421 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 234.0 Ų indicates high polarity, suggesting RefChem:538421 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:538421 has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:538421?
The CAS number of RefChem:538421 is 70942-36-8.
What is the molecular formula of RefChem:538421?
The molecular formula of RefChem:538421 is C28H48O12S3Sn.
What is the molecular weight of RefChem:538421?
The molecular weight of RefChem:538421 is 792.13 g/mol.
Where can I buy RefChem:538421?
You can request a quote for RefChem:538421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:538421?
Yes, KEHONG BIO provides custom synthesis services for RefChem:538421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.