CAS RN: 2101206-46-4
Perfluorophenyl 1-(1,3-dioxoisoindolin-2-yloxy)-3,6,9,12-tetraoxapentadecan-15-oate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260204 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-099913
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 | Shenzhen | Inquiry |
2101206-46-4 / (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2101206-46-4
Multi CAS
No
Molecular Formula
C25H24F5NO9
Molecular Weight
577.400000
Exact Mass
577.137122
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OCCOCCOCCOCCOCCC(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C25H24F5NO9/c26-18-19(27)21(29)23(22(30)20(18)28)40-17(32)5-6-35-7-8-36-9-10-37-11-12-38-13-14-39-31-24(33)15-3-1-2-4-16(15)25(31)34/h1-4H,5-14H2
InChIKey
XHCPQOPVDGGVBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
17
H-bond acceptors
9
Molar refractivity
122.65
TPSA
109.83
LogP / Solubility
WLOGP
2.97
MLOGP
2.66
XLogP3
2.2
Consensus LogP
2.61
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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