[email protected]
CAS 106-10-5 2,2′-ethylenedioxydiethyl dioctanoate molecular structure lightbox
CAS RN: 106-10-5

2,2′-ethylenedioxydiethyl dioctanoate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260321 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS106-10-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

106-10-5 / 2-[2-(2-octanoyloxyethoxy)ethoxy]ethyl octanoate

Triethylene glycol dioctanoate | Octanoic acid, diester with triethylene glycol | Octanoic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester

Standard CAS: 106-10-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106-10-5
Multi CAS
Yes
Molecular Formula
C22H42O6
Molecular Weight
402.600000
Exact Mass
402.298139
SMILES
CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC
InChI
InChI=1S/C22H42O6/c1-3-5-7-9-11-13-21(23)27-19-17-25-15-16-26-18-20-28-22(24)14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey
YJGHMLJGPSVSLF-UHFFFAOYSA-N
Synonyms
Triethylene glycol dioctanoate Octanoic acid, diester with triethylene glycol Octanoic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester NSC 6380 EINECS 203-361-4

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.91
Rotatable bonds
21
H-bond acceptors
6
Molar refractivity
110.31
TPSA
71.06

LogP / Solubility

WLOGP
4.83
MLOGP
4.27
XLogP3
5.7
Consensus LogP
4.93
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us