3-Octadecylsulfanylpropane-1,2-diol
TL;DR: 3-Octadecylsulfanylpropane-1,2-diol (CAS 98320-12-8) is a chemical compound with molecular formula C21H44O2S and molecular weight 360.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octadecylsulfanylpropane-1,2-diol
Also Known As: 3-octadecylsulfanylpropane-1,2-diol, NCIOpen2_007804, 3-(octadecylsulfanyl)propane-1,2-diol, 3-octadecylthio-propane-1,2 diol, 1-n-octadecylthio-2,3-propanediol
| Molecular Formula | C21H44O2S |
|---|---|
| Molecular Weight | 360.31 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 360.3062 |
| Heavy Atoms | 24 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 98320-12-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSCC(CO)O |
| InChIKey | WHCHVADSXPASOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Octadecylsulfanylpropane-1,2-diol (CAS 98320-12-8), with molecular formula C21H44O2S and molecular weight 360.31 g/mol. IUPAC: 3-octadecylsulfanylpropane-1,2-diol.
Chemical Property Profile of 3-Octadecylsulfanylpropane-1,2-diol
Property Insights of 3-Octadecylsulfanylpropane-1,2-diol
The XLogP value of 8.4 indicates that 3-Octadecylsulfanylpropane-1,2-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Octadecylsulfanylpropane-1,2-diol. Following Lipinski's Rule of Five, 3-Octadecylsulfanylpropane-1,2-diol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Octadecylsulfanylpropane-1,2-diol?
The CAS number of 3-Octadecylsulfanylpropane-1,2-diol is 98320-12-8.
What is the molecular formula of 3-Octadecylsulfanylpropane-1,2-diol?
The molecular formula of 3-Octadecylsulfanylpropane-1,2-diol is C21H44O2S.
What is the molecular weight of 3-Octadecylsulfanylpropane-1,2-diol?
The molecular weight of 3-Octadecylsulfanylpropane-1,2-diol is 360.31 g/mol.
Where can I buy 3-Octadecylsulfanylpropane-1,2-diol?
You can request a quote for 3-Octadecylsulfanylpropane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Octadecylsulfanylpropane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-Octadecylsulfanylpropane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.