2,3-Dihydroxypropyl octadec-9-enoate
TL;DR: 2,3-Dihydroxypropyl octadec-9-enoate (CAS 111-03-5) is a chemical compound with molecular formula C21H40O4 and molecular weight 356.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl octadec-9-enoate
Also Known As: Glyceryl monooleate, Monoolein, Monoelaidin, Isojasminin, Glyceryl oleate
| Molecular Formula | C21H40O4 |
|---|---|
| Molecular Weight | 356.29 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 356.29266 |
| Heavy Atoms | 25 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 111-03-5 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O |
| InChIKey | RZRNAYUHWVFMIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydroxypropyl octadec-9-enoate (CAS 111-03-5), with molecular formula C21H40O4 and molecular weight 356.29 g/mol. IUPAC: 2,3-dihydroxypropyl octadec-9-enoate.
Chemical Property Profile of 2,3-Dihydroxypropyl octadec-9-enoate
Property Insights of 2,3-Dihydroxypropyl octadec-9-enoate
The XLogP value of 6.5 indicates that 2,3-Dihydroxypropyl octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydroxypropyl octadec-9-enoate. Following Lipinski's Rule of Five, 2,3-Dihydroxypropyl octadec-9-enoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Dihydroxypropyl octadec-9-enoate?
The CAS number of 2,3-Dihydroxypropyl octadec-9-enoate is 111-03-5.
What is the molecular formula of 2,3-Dihydroxypropyl octadec-9-enoate?
The molecular formula of 2,3-Dihydroxypropyl octadec-9-enoate is C21H40O4.
What is the molecular weight of 2,3-Dihydroxypropyl octadec-9-enoate?
The molecular weight of 2,3-Dihydroxypropyl octadec-9-enoate is 356.29 g/mol.
Where can I buy 2,3-Dihydroxypropyl octadec-9-enoate?
You can request a quote for 2,3-Dihydroxypropyl octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydroxypropyl octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydroxypropyl octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.