Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
620-64-4 / 2,3-di(icosanoyloxy)propyl icosanoate
Basic Information
CAS
620-64-4
Multi CAS
Yes
Molecular Formula
C63H122O6
Molecular Weight
975.600000
Exact Mass
974.924142
InChI
InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3
InChIKey
KCVWRCXEUJUXIG-UHFFFAOYSA-N
Physical Properties
Physical Description
White powder;
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
69
Fraction Csp3
0.95
Rotatable bonds
59
H-bond acceptors
6
Molar refractivity
298.14
TPSA
78.9
LogP / Solubility
WLOGP
21.11
MLOGP
18.67
XLogP3
28.4
Consensus LogP
22.73
Log S (ESOL)
-15.29
Class (ESOL)
Insoluble
Log S (Ali)
-22.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-30.6
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)
6.32
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
