Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate
TL;DR: Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate (CAS 2781-09-1) is a chemical compound with molecular formula C28H56O4S2Sn and molecular weight 640.2642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octyl 2-[dibutyl(octoxycarbonylsulfanylmethyl)stannyl]sulfanylacetate
Also Known As: Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate, octyl 2-[dibutyl(octoxycarbonylsulfanylmethyl)stannyl]sulfanylacetate, EINECS 220-480-7
Technical Specifications
| Molecular Formula | C28H56O4S2Sn |
| Molecular Weight | 640.2642 g/mol |
| XLogP | 9.94 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 28 |
| Exact Mass | 640.2642 Da |
| Heavy Atoms | 35 |
| Complexity | 497.0 |
| SMILES | CCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)CSC(=O)OCCCCCCCC |
| InChIKey | VGWPLCQRFHKYRQ-UHFFFAOYSA-M |
Chemical Property Profile of Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate
Property Insights of Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate
The XLogP value of 9.94 indicates that Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate. Following Lipinski's Rule of Five, Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate?
The CAS number of Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate is 2781-09-1.
What is the molecular formula of Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate?
The molecular formula of Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate is C28H56O4S2Sn.
What is the molecular weight of Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate?
The molecular weight of Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate is 640.2642 g/mol.
Where can I buy Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate?
You can request a quote for Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate?
Yes, CoreyChem provides custom synthesis services for Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.