Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester
TL;DR: Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester (CAS 68298-36-2) is a chemical compound with molecular formula C37H72O6S3Sn and molecular weight 828.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butyl-bis(2-nonanoyloxyethylsulfanyl)stannyl]sulfanylethyl nonanoate
Also Known As: tris trinonanoate, Butyltintris(2-mercaptoethyl nonanoate), Butyltintris(2-nonanoyloxyethylmercaptide), (Butylstannylidyne)tris(thioethane-2,1-diyl) trinonanoate, Nonanoic acid, (butylstannylidyne)tris(thio-2,1-ethanediyl) ester
| Molecular Formula | C37H72O6S3Sn |
|---|---|
| Molecular Weight | 828.35 g/mol |
| LogP | 11.81 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 39 |
| Exact Mass | 828.3513 |
| Heavy Atoms | 47 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 68298-36-2 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCCC)SCCOC(=O)CCCCCCCC |
| InChIKey | CMTHBFGXMJZQBS-UHFFFAOYSA-K |
Product Overview
Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester (CAS 68298-36-2), with molecular formula C37H72O6S3Sn and molecular weight 828.35 g/mol. IUPAC: 2-[butyl-bis(2-nonanoyloxyethylsulfanyl)stannyl]sulfanylethyl nonanoate.
Chemical Property Profile of Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester
Property Insights of Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester
The XLogP value of 11.81 indicates that Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester?
The CAS number of Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester is 68298-36-2.
What is the molecular formula of Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester?
The molecular formula of Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester is C37H72O6S3Sn.
What is the molecular weight of Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester?
The molecular weight of Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester is 828.35 g/mol.
Where can I buy Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester?
You can request a quote for Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester?
Yes, KEHONG BIO provides custom synthesis services for Nonanoic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.