[email protected]
CAS 627-86-1 DIOCTANOYLGLYCOL molecular structure lightbox
CAS RN: 627-86-1

DIOCTANOYLGLYCOL

Product Availability

Choose a grade to view its available package options.

9 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260128 100mg In stock Inquiry
Batchno.20250314 10mg Out of stock Inquiry
Batchno.20260409 250mg In stock Inquiry
Batchno.20250425 500mg In stock Inquiry
Batchno.20251002 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 100mg In stock Shanghai Inquiry
Batchno.20260207 250mg Out of stock Inquiry
Batchno.20250710 25mg Out of stock Inquiry
Batchno.20250102 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS627-86-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

627-86-1 / 2-octanoyloxyethyl octanoate

Standard CAS: 627-86-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
627-86-1
Multi CAS
Yes
Molecular Formula
C18H34O4
Molecular Weight
314.500000
Exact Mass
314.245710
InChI
InChI=1S/C18H34O4/c1-3-5-7-9-11-13-17(19)21-15-16-22-18(20)14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
HTNFLUQQANUSLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.89
Rotatable bonds
15
H-bond acceptors
4
Molar refractivity
88.67
TPSA
52.6

LogP / Solubility

WLOGP
4.79
MLOGP
4.23
XLogP3
6
Consensus LogP
5.01
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.48
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
No
Log Kp (skin permeation)
-1.23

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us