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 |
2376450-73-4 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Basic Information
CAS
2376450-73-4
Multi CAS
No
Molecular Formula
C49H100O25
Molecular Weight
1089.300000
Exact Mass
1088.655369
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C49H100O25/c1-51-4-5-53-8-9-55-12-13-57-16-17-59-20-21-61-24-25-63-28-29-65-32-33-67-36-37-69-40-41-71-44-45-73-48-49-74-47-46-72-43-42-70-39-38-68-35-34-66-31-30-64-27-26-62-23-22-60-19-18-58-15-14-56-11-10-54-7-6-52-3-2-50/h50H,2-49H2,1H3
InChIKey
ZPFISRZFZGAZTF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
74
Fraction Csp3
1
Rotatable bonds
71
H-bond acceptors
25
H-bond donors
1
Molar refractivity
267.8
TPSA
241.75
LogP / Solubility
WLOGP
0.01
MLOGP
0.11
XLogP3
-4
Consensus LogP
-1.29
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-8.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.36
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
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