3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate
TL;DR: 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate (CAS 68130-53-0) is a chemical compound with molecular formula C30H56O6 and molecular weight 512.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-heptanoyloxy-2-octanoyloxypropyl) dodecanoate
Also Known As: EINECS 268-596-7, EC 268-596-7, (3-heptanoyloxy-2-octanoyloxypropyl) dodecanoate, Trimethylolpropane, heptanoic acid, caprylic acid, capric acid mixed esters, 3-(HEPTANOYLOXY)-2-(OCTANOYLOXY)PROPYL DODECANOATE
| Molecular Formula | C30H56O6 |
|---|---|
| Molecular Weight | 512.41 g/mol |
| LogP | 8.2364 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Exact Mass | 512.4077 |
| Heavy Atoms | 36 |
| Complexity | 533.53217 |
Chemical Identifiers
| CAS Number | 68130-53-0 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCC |
Product Overview
3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate (CAS 68130-53-0), with molecular formula C30H56O6 and molecular weight 512.41 g/mol. IUPAC: (3-heptanoyloxy-2-octanoyloxypropyl) dodecanoate.
Chemical Property Profile of 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate
Property Insights of 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate
The XLogP value of 8.2364 indicates that 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate. Following Lipinski's Rule of Five, 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate?
The CAS number of 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate is 68130-53-0.
What is the molecular formula of 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate?
The molecular formula of 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate is C30H56O6.
What is the molecular weight of 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate?
The molecular weight of 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate is 512.41 g/mol.
Where can I buy 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate?
You can request a quote for 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Heptanoyloxy)-2-(octanoyloxy)propyl dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.