1-O-Oleyl-propanediol-(1,3)
TL;DR: 1-O-Oleyl-propanediol-(1,3) (CAS 31394-71-5) is a chemical compound with molecular formula C21H40O3 and molecular weight 340.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxypropyl octadec-9-enoate
Also Known As: 1-O-Oleyl-propanediol-(1,3)
| Molecular Formula | C21H40O3 |
|---|---|
| Molecular Weight | 340.30 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 340.29776 |
| Heavy Atoms | 24 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 31394-71-5 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCCCO |
| InChIKey | YWBLIYFXWVRDAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-O-Oleyl-propanediol-(1,3) (CAS 31394-71-5), with molecular formula C21H40O3 and molecular weight 340.30 g/mol. IUPAC: 3-hydroxypropyl octadec-9-enoate.
Chemical Property Profile of 1-O-Oleyl-propanediol-(1,3)
Property Insights of 1-O-Oleyl-propanediol-(1,3)
The XLogP value of 7.3 indicates that 1-O-Oleyl-propanediol-(1,3) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 1-O-Oleyl-propanediol-(1,3) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-O-Oleyl-propanediol-(1,3) has 1 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 1-O-Oleyl-propanediol-(1,3)?
The CAS number of 1-O-Oleyl-propanediol-(1,3) is 31394-71-5.
What is the molecular formula of 1-O-Oleyl-propanediol-(1,3)?
The molecular formula of 1-O-Oleyl-propanediol-(1,3) is C21H40O3.
What is the molecular weight of 1-O-Oleyl-propanediol-(1,3)?
The molecular weight of 1-O-Oleyl-propanediol-(1,3) is 340.30 g/mol.
Where can I buy 1-O-Oleyl-propanediol-(1,3)?
You can request a quote for 1-O-Oleyl-propanediol-(1,3) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-Oleyl-propanediol-(1,3)?
Yes, KEHONG BIO provides custom synthesis services for 1-O-Oleyl-propanediol-(1,3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.