2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester
TL;DR: 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester (CAS 67860-05-3) is a chemical compound with molecular formula C39H72O6 and molecular weight 636.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-(3-octyloxiran-2-yl)octanoyloxy]propyl 8-(3-octyloxiran-2-yl)octanoate
Also Known As: Propylene bis(3-octyloxiran-2-octanoate), Epoxidized 1,2-propylene glycol dioleate, Propylene glycol bis(9,10-epoxystearate), Propylene bis[3-Octyloxiran-2-octanoate], propylenebis[3-octyloxiran-2-octanoate]
| Molecular Formula | C39H72O6 |
|---|---|
| Molecular Weight | 636.53 g/mol |
| LogP | 13.1 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 35 |
| Exact Mass | 636.5329 |
| Heavy Atoms | 45 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 67860-05-3 |
|---|---|
| SMILES | CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC2C(O2)CCCCCCCC |
| InChIKey | GQIQPZPZQNIQGQ-UHFFFAOYSA-N |
Product Overview
2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester (CAS 67860-05-3), with molecular formula C39H72O6 and molecular weight 636.53 g/mol. IUPAC: 2-[8-(3-octyloxiran-2-yl)octanoyloxy]propyl 8-(3-octyloxiran-2-yl)octanoate.
Chemical Property Profile of 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester
Property Insights of 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester
The XLogP value of 13.1 indicates that 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester. Following Lipinski's Rule of Five, 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester 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 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester?
The CAS number of 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester is 67860-05-3.
What is the molecular formula of 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester?
The molecular formula of 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester is C39H72O6.
What is the molecular weight of 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester?
The molecular weight of 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester is 636.53 g/mol.
Where can I buy 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester?
You can request a quote for 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxiraneoctanoic acid, 3-octyl-, 2,2'-(1-methyl-1,2-ethanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.