CAS RN: 308805-39-2
DSG-PEG 2000
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-135990
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 | Beijing | Inquiry |
308805-39-2 / [3-(2-methoxyethoxy)-2-octadecanoyloxypropyl] octadecanoate
Basic Information
CAS
308805-39-2
Multi CAS
Yes
Molecular Formula
C42H82O6
Molecular Weight
683.100000
Exact Mass
682.611140
InChI
InChI=1S/C42H82O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(43)47-39-40(38-46-37-36-45-3)48-42(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h40H,4-39H2,1-3H3
InChIKey
NCSNIEUPEZYVMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Fraction Csp3
0.95
Rotatable bonds
40
H-bond acceptors
6
Molar refractivity
202.63
TPSA
71.06
LogP / Solubility
WLOGP
12.63
MLOGP
11.17
XLogP3
16.6
Consensus LogP
13.47
Log S (ESOL)
-9.39
Class (ESOL)
Insoluble
Log S (Ali)
-14.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.38
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)
2.08
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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