RefChem:71612
TL;DR: RefChem:71612 (CAS 67907-14-6) is a chemical compound with molecular formula C55H78O12S3Sn and molecular weight 1146.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-[2-[methyl-bis[2-[2-(6-methylheptoxycarbonyl)benzoyl]oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate
Also Known As: Triisooctyl (methylstannylidyne)tris(thioethylene) triphthalate, 1,2-Benzenedicarboxylic acid, (methylstannylidyne)tris(thio-2,1-ethanediyl) triisooctyl ester, 1,2-Benzenedicarboxylic acid, 1,1',1''-((methylstannylidyne)tris(thio-2,1-ethanediyl)) 2,2',2''-triisooctyl ester, 1,2-Benzenedicarboxylic acid, 1,1',1''-[(methylstannylidyne)tris(thio-2,1-ethanediyl)] 2,2',2''-triisooctyl ester, 2-O-[2-[methyl-bis[2-[2-(6-methylheptoxycarbonyl)benzoyl]oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate
| Molecular Formula | C55H78O12S3Sn |
|---|---|
| Molecular Weight | 1146.37 g/mol |
| LogP | 13.4453 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 42 |
| Exact Mass | 1146.3678 |
| Heavy Atoms | 71 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 67907-14-6 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCS[Sn](C)(SCCOC(=O)C2=CC=CC=C2C(=O)OCCCCCC(C)C)SCCOC(=O)C3=CC=CC=C3C(=O)OCCCCCC(C)C |
| InChIKey | PPDFSAKFYMCQET-UHFFFAOYSA-K |
Product Overview
RefChem:71612 (CAS 67907-14-6), with molecular formula C55H78O12S3Sn and molecular weight 1146.37 g/mol. IUPAC: 2-O-[2-[methyl-bis[2-[2-(6-methylheptoxycarbonyl)benzoyl]oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of RefChem:71612
Property Insights of RefChem:71612
The XLogP value of 13.4453 indicates that RefChem:71612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 234.0 Ų indicates high polarity, suggesting RefChem:71612 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:71612 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:71612?
The CAS number of RefChem:71612 is 67907-14-6.
What is the molecular formula of RefChem:71612?
The molecular formula of RefChem:71612 is C55H78O12S3Sn.
What is the molecular weight of RefChem:71612?
The molecular weight of RefChem:71612 is 1146.37 g/mol.
Where can I buy RefChem:71612?
You can request a quote for RefChem:71612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71612?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.