CAS RN: 126411-39-0
SR 12813
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251204 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250713 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250904 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260614 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260624 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260315 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250414 | 5mg | In stock | Shanghai | Inquiry | |
| Batchno.20250315 | 5mg / 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: SSC-033526
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
126411-39-0 / 4-[2,2-bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenol
Basic Information
CAS
126411-39-0
Multi CAS
No
Molecular Formula
C24H42O7P2
Molecular Weight
504.500000
Exact Mass
504.240578
SMILES
CCOP(=O)(C(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC
InChI
InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3
InChIKey
YQLJDECYQDRSBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
1
Molar refractivity
135.2
TPSA
91.29
LogP / Solubility
WLOGP
7.82
MLOGP
6.92
XLogP3
5.2
Consensus LogP
6.65
Log S (ESOL)
-7.3
Class (ESOL)
Insoluble
Log S (Ali)
-9.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.75
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
Yes
Log Kp (skin permeation)
-0.25
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
2.5
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