RefChem:71611
TL;DR: RefChem:71611 (CAS 67939-28-0) is a chemical compound with molecular formula C58H84O12S3Sn and molecular weight 1188.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-[2-[butyl-bis[2-[2-(6-methylheptoxycarbonyl)benzoyl]oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate
Also Known As: (Butylstannylidyne)tris(thioethylene) triisooctyl triphthalate, 1,2-Benzenedicarboxylic acid, (butylstannylidyne)tris(thio-2,1-ethanediyl) triisooctyl ester, 1,2-Benzenedicarboxylic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) 2,2',2''-triisooctyl ester, 1,2-Benzenedicarboxylic acid, 1,1',1''-[(butylstannylidyne)tris(thio-2,1-ethanediyl)] 2,2',2''-triisooctyl ester, 2-O-[2-[butyl-bis[2-[2-(6-methylheptoxycarbonyl)benzoyl]oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate
| Molecular Formula | C58H84O12S3Sn |
|---|---|
| Molecular Weight | 1188.41 g/mol |
| LogP | 14.6156 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 45 |
| Exact Mass | 1188.4147 |
| Heavy Atoms | 74 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 67939-28-0 |
|---|---|
| SMILES | CCCC[Sn](SCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C)(SCCOC(=O)C2=CC=CC=C2C(=O)OCCCCCC(C)C)SCCOC(=O)C3=CC=CC=C3C(=O)OCCCCCC(C)C |
| InChIKey | HODHHAQCJRHREX-UHFFFAOYSA-K |
Product Overview
RefChem:71611 (CAS 67939-28-0), with molecular formula C58H84O12S3Sn and molecular weight 1188.41 g/mol. IUPAC: 2-O-[2-[butyl-bis[2-[2-(6-methylheptoxycarbonyl)benzoyl]oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of RefChem:71611
Property Insights of RefChem:71611
The XLogP value of 14.6156 indicates that RefChem:71611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 234.0 Ų indicates high polarity, suggesting RefChem:71611 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:71611 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:71611?
The CAS number of RefChem:71611 is 67939-28-0.
What is the molecular formula of RefChem:71611?
The molecular formula of RefChem:71611 is C58H84O12S3Sn.
What is the molecular weight of RefChem:71611?
The molecular weight of RefChem:71611 is 1188.41 g/mol.
Where can I buy RefChem:71611?
You can request a quote for RefChem:71611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71611?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.