RefChem:544708
TL;DR: RefChem:544708 (CAS 70942-35-7) is a chemical compound with molecular formula C31H54O12S3Sn and molecular weight 834.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-[2-[butyl-bis[2-(6-methoxy-6-oxohexanoyl)oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-methyl hexanedioate
Also Known As: 7,15-Dioxa-10,12-dithia-11-stannaheneicosanedioic acid, 11-butyl-11-[[2-[(6-methoxy-1,6-dioxohexyl)oxy]ethyl]thio]-6,16-dioxo-, dimethyl ester, 7,15-Dioxa-10,12-dithia-11-stannaheneicosanedioic acid, 11-butyl-11-((2-((6-methoxy-1,6-dioxohexyl)oxy)ethyl)thio)-6,16-dioxo-, 1,21-dimethyl ester, 7,15-Dioxa-10,12-dithia-11-stannaheneicosanedioic acid, 11-butyl-11-((2-((6-methoxy-1,6-dioxohexyl)oxy)ethyl)thio)-6,16-dioxo-, dimethyl ester, 6-O-[2-[butyl-bis[2-(6-methoxy-6-oxohexanoyl)oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-methyl hexanedioate, 7,15-Dioxa-10,12-dithia-11-stannaheneicosanedioic acid, 11-butyl-11-[[2-[(6-methoxy-1,6-dioxohexyl)oxy]ethyl]thio]-6,16-dioxo-, 1,21-dimethyl ester
| Molecular Formula | C31H54O12S3Sn |
|---|---|
| Molecular Weight | 834.18 g/mol |
| LogP | 5.75 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 36 |
| Exact Mass | 834.17993 |
| Heavy Atoms | 47 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 70942-35-7 |
|---|---|
| SMILES | CCCC[Sn](SCCOC(=O)CCCCC(=O)OC)(SCCOC(=O)CCCCC(=O)OC)SCCOC(=O)CCCCC(=O)OC |
| InChIKey | RRIPBCHCSCNKKP-UHFFFAOYSA-K |
Product Overview
RefChem:544708 (CAS 70942-35-7), with molecular formula C31H54O12S3Sn and molecular weight 834.18 g/mol. IUPAC: 6-O-[2-[butyl-bis[2-(6-methoxy-6-oxohexanoyl)oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-methyl hexanedioate.
Chemical Property Profile of RefChem:544708
Property Insights of RefChem:544708
The XLogP value of 5.75 indicates that RefChem:544708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 234.0 Ų indicates high polarity, suggesting RefChem:544708 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:544708 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:544708?
The CAS number of RefChem:544708 is 70942-35-7.
What is the molecular formula of RefChem:544708?
The molecular formula of RefChem:544708 is C31H54O12S3Sn.
What is the molecular weight of RefChem:544708?
The molecular weight of RefChem:544708 is 834.18 g/mol.
Where can I buy RefChem:544708?
You can request a quote for RefChem:544708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:544708?
Yes, KEHONG BIO provides custom synthesis services for RefChem:544708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.