Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate structure

Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate

TL;DR: Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate (CAS 78182-41-9) is a chemical compound with molecular formula C38H76O4S2Sn and molecular weight 780.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate

Also Known As: octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfa, Octyl 5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannaoctadecan-1-oate

CAS: 78182-41-9
Molecular Formula C38H76O4S2Sn
Molecular Weight 780.42 g/mol
LogP 13.2036
Topological Polar Surface Area 52.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 36
Exact Mass 780.4207
Heavy Atoms 45
Complexity 595.24

Chemical Identifiers

CAS Number 78182-41-9
SMILES CCCCCCCCOC(=O)CCS[Sn](CCCCCCCC)(CCCCCCCC)SCCC(=O)OCCCCCCCC

Product Overview

Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate (CAS 78182-41-9), with molecular formula C38H76O4S2Sn and molecular weight 780.42 g/mol. IUPAC: octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate

XLogP
13.2036
TPSA (Topological Polar Surface Area)
52.6
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
36
Heavy Atoms
45
Complexity
595.24
Exact Mass
780.4207
Monoisotopic Mass
780.4207
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate

The XLogP value of 13.2036 indicates that Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate 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 typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate?

The CAS number of Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate is 78182-41-9.

What is the molecular formula of Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate?

The molecular formula of Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate is C38H76O4S2Sn.

What is the molecular weight of Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate?

The molecular weight of Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate is 780.42 g/mol.

Where can I buy Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate?

You can request a quote for Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate?

Yes, KEHONG BIO provides custom synthesis services for Octyl 3-[(3-octoxy-3-oxopropyl)sulfanyl-dioctylstannyl]sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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