3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate
TL;DR: 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate (CAS 49553-76-6) is a chemical compound with molecular formula C24H46O6 and molecular weight 430.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,3-dihydroxypropoxy)-1-hydroxypropyl] (Z)-octadec-9-enoate
Also Known As: Diglyceryl monooleate, Polyglyceryl-2 oleate, EINECS 256-367-4, EC 256-367-4, Oleic acid, monoester with oxybis(propanediol)
| Molecular Formula | C24H46O6 |
|---|---|
| Molecular Weight | 430.33 g/mol |
| LogP | 4.993 |
| Topological Polar Surface Area | 96.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Exact Mass | 430.32944 |
| Heavy Atoms | 30 |
| Complexity | 397.15738 |
Chemical Identifiers
| CAS Number | 49553-76-6 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCOCCC(O)O)O |
Product Overview
3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate (CAS 49553-76-6), with molecular formula C24H46O6 and molecular weight 430.33 g/mol. IUPAC: [3-(3,3-dihydroxypropoxy)-1-hydroxypropyl] (Z)-octadec-9-enoate.
Chemical Property Profile of 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate
Property Insights of 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate
The XLogP value of 4.993 indicates that 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate. Following Lipinski's Rule of Five, 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate?
The CAS number of 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate is 49553-76-6.
What is the molecular formula of 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate?
The molecular formula of 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate is C24H46O6.
What is the molecular weight of 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate?
The molecular weight of 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate is 430.33 g/mol.
Where can I buy 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate?
You can request a quote for 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-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 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,3-Dihydroxypropoxy)-1-hydroxypropyl (9Z)-octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.