![1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane structure](/static/products/6579/65796-89-6.webp)
1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane
TL;DR: 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane (CAS 65796-89-6) is a chemical compound with molecular formula C39H80S2 and molecular weight 612.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-octadecylsulfanylpropan-2-ylsulfanyl)octadecane
Also Known As: 1-(2-octadecylsulfanylpropan-2-ylsulfanyl)octadecane, 1-{[2-(octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane
| Molecular Formula | C39H80S2 |
|---|---|
| Molecular Weight | 612.57 g/mol |
| LogP | 19.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 36 |
| Exact Mass | 612.5701 |
| Heavy Atoms | 41 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 65796-89-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSC(C)(C)SCCCCCCCCCCCCCCCCCC |
| InChIKey | MHXVSUCNJFYFDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane (CAS 65796-89-6), with molecular formula C39H80S2 and molecular weight 612.57 g/mol. IUPAC: 1-(2-octadecylsulfanylpropan-2-ylsulfanyl)octadecane.
Chemical Property Profile of 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane
Property Insights of 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane
The XLogP value of 19.9 indicates that 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane?
The CAS number of 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane is 65796-89-6.
What is the molecular formula of 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane?
The molecular formula of 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane is C39H80S2.
What is the molecular weight of 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane?
The molecular weight of 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane is 612.57 g/mol.
Where can I buy 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane?
You can request a quote for 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane?
Yes, KEHONG BIO provides custom synthesis services for 1-{[2-(Octadecylsulfanyl)propan-2-yl]sulfanyl}octadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.