RefChem:71613
TL;DR: RefChem:71613 (CAS 68928-78-9) is a chemical compound with molecular formula C44H68O8S2Sn and molecular weight 908.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-[2-[dibutyl-[2-[2-(6-methylheptoxycarbonyl)benzoyl]oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate
Also Known As: EINECS 273-030-7, (Dibutylstannylene)bis(thioethylene) diisooctyl diphthalate, 1,2-Benzenedicarboxylic acid, (dibutylstannylene)bis(thio-2,1-ethanediyl) diisooctyl ester, 1,2-Benzenedicarboxylic acid, 1,1'-((dibutylstannylene)bis(thio-2,1-ethanediyl)) 2,2'-diisooctyl ester, 1,2-Benzenedicarboxylic acid, 1,1'-[(dibutylstannylene)bis(thio-2,1-ethanediyl)] 2,2'-diisooctyl ester
| Molecular Formula | C44H68O8S2Sn |
|---|---|
| Molecular Weight | 908.34 g/mol |
| LogP | 11.9556 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 30 |
| Exact Mass | 908.33777 |
| Heavy Atoms | 55 |
| Complexity | 1310.1719 |
Chemical Identifiers
| CAS Number | 68928-78-9 |
|---|---|
| SMILES | CCCC[Sn](CCCC)(SCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C)SCCOC(=O)C2=CC=CC=C2C(=O)OCCCCCC(C)C |
Product Overview
RefChem:71613 (CAS 68928-78-9), with molecular formula C44H68O8S2Sn and molecular weight 908.34 g/mol. IUPAC: 2-O-[2-[dibutyl-[2-[2-(6-methylheptoxycarbonyl)benzoyl]oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of RefChem:71613
Property Insights of RefChem:71613
The XLogP value of 11.9556 indicates that RefChem:71613 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:71613. Following Lipinski's Rule of Five, RefChem:71613 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:71613?
The CAS number of RefChem:71613 is 68928-78-9.
What is the molecular formula of RefChem:71613?
The molecular formula of RefChem:71613 is C44H68O8S2Sn.
What is the molecular weight of RefChem:71613?
The molecular weight of RefChem:71613 is 908.34 g/mol.
Where can I buy RefChem:71613?
You can request a quote for RefChem:71613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71613?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.