2-Octadec-9-enoxypropane-1,3-diol
TL;DR: 2-Octadec-9-enoxypropane-1,3-diol (CAS 61480-61-3) is a chemical compound with molecular formula C21H42O3 and molecular weight 342.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octadec-9-enoxypropane-1,3-diol
Also Known As: 2-O-(9-Octadecenyl)glycerol, 2-octadec-9-enoxypropane-1,3-diol, 2-octadec-9-enyloxy-propane-1,3-diol, 1,3-Propanediol, 2-(9-octadecenyloxy)-
| Molecular Formula | C21H42O3 |
|---|---|
| Molecular Weight | 342.31 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 342.3134 |
| Heavy Atoms | 24 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 61480-61-3 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCCOC(CO)CO |
| InChIKey | NOKZRPRTHPWZDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Octadec-9-enoxypropane-1,3-diol (CAS 61480-61-3), with molecular formula C21H42O3 and molecular weight 342.31 g/mol. IUPAC: 2-octadec-9-enoxypropane-1,3-diol.
Chemical Property Profile of 2-Octadec-9-enoxypropane-1,3-diol
Property Insights of 2-Octadec-9-enoxypropane-1,3-diol
The XLogP value of 6.7 indicates that 2-Octadec-9-enoxypropane-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 2-Octadec-9-enoxypropane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octadec-9-enoxypropane-1,3-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 2-Octadec-9-enoxypropane-1,3-diol?
The CAS number of 2-Octadec-9-enoxypropane-1,3-diol is 61480-61-3.
What is the molecular formula of 2-Octadec-9-enoxypropane-1,3-diol?
The molecular formula of 2-Octadec-9-enoxypropane-1,3-diol is C21H42O3.
What is the molecular weight of 2-Octadec-9-enoxypropane-1,3-diol?
The molecular weight of 2-Octadec-9-enoxypropane-1,3-diol is 342.31 g/mol.
Where can I buy 2-Octadec-9-enoxypropane-1,3-diol?
You can request a quote for 2-Octadec-9-enoxypropane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octadec-9-enoxypropane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Octadec-9-enoxypropane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.