9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester
TL;DR: 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester (CAS 821-69-2) is a chemical compound with molecular formula C39H72O4 and molecular weight 604.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(Z)-octadec-9-enoyl]oxypropyl (Z)-octadec-9-enoate
Also Known As: 1,3-Propanediyl dioleate, Oleate propyl diester diol, EINECS 212-481-6, (Z)-Propane-1,3-diyl dioleate, Polypropylene glycol (17) dioleate
| Molecular Formula | C39H72O4 |
|---|---|
| Molecular Weight | 604.54 g/mol |
| LogP | 12.5379 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 34 |
| Exact Mass | 604.5431 |
| Heavy Atoms | 43 |
| Complexity | 585.14825 |
Chemical Identifiers
| CAS Number | 821-69-2 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCCCOC(=O)CCCCCCC/C=C\CCCCCCCC |
Product Overview
9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester (CAS 821-69-2), with molecular formula C39H72O4 and molecular weight 604.54 g/mol. IUPAC: 3-[(Z)-octadec-9-enoyl]oxypropyl (Z)-octadec-9-enoate.
Chemical Property Profile of 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester
Property Insights of 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester
The XLogP value of 12.5379 indicates that 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester has 0 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 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester?
The CAS number of 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester is 821-69-2.
What is the molecular formula of 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester?
The molecular formula of 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester is C39H72O4.
What is the molecular weight of 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester?
The molecular weight of 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester is 604.54 g/mol.
Where can I buy 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester?
You can request a quote for 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 9-Octadecenoic acid (9Z)-, 1,1'-(1,3-propanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.