CAS RN: 82188-61-2
1,2-O-DIOCTADECYL-SN-GLYCEROL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251214 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS82188-61-2
- Purity/Analytical Methods: >99.0%
82188-61-2 / 2,3-dioctadecoxypropan-1-ol
Basic Information
CAS
82188-61-2
Multi CAS
Yes
Molecular Formula
C39H80O3
Molecular Weight
597.000000
Exact Mass
596.610746
InChI
InChI=1S/C39H80O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-38-39(37-40)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-38H2,1-2H3/t39-/m0/s1
InChIKey
QEHCYTDFERPPPU-KDXMTYKHSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Fraction Csp3
1
Rotatable bonds
38
H-bond acceptors
3
H-bond donors
1
Molar refractivity
186.74
TPSA
38.69
LogP / Solubility
WLOGP
12.9
MLOGP
11.4
XLogP3
17
Consensus LogP
13.77
Log S (ESOL)
-9.16
Class (ESOL)
Insoluble
Log S (Ali)
-13.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
2.8
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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