CAS RN: 217189-40-7
2(BIS(2 4DI-T-BU-PHENOXY)PHOSPHINOOXY)3
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251209 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260316 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251101 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20260112 | 1g | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20250630 | 250mg | In stock | Shanghai, Wuhan, Chengdu | Inquiry | |
| Batchno.20260509 | 25g | Out of stock | Inquiry | ||
| Batchno.20260102 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-104647
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
217189-40-7 / bis((2,4-ditert-butylbenzene-6-id-1-yl) bis(2,4-ditert-butylphenyl) phosphite);dichloroniopalladium;palladium
Basic Information
CAS
217189-40-7
Multi CAS
No
Molecular Formula
C84H126Cl2O6P2Pd2
Molecular Weight
1577.600000
Exact Mass
1576.648040
SMILES
CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=[C-]3)C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=[C-]3)C(C)(C)C)C(C)(C)C)C(C)(C)C.[ClH+][Pd][ClH+].[Pd]
InChI
InChI=1S/2C42H62O3P.2ClH.2Pd/c2*1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18;;;;/h2*19-23,25-27H,1-18H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKey
LQPOGEPXJXBODX-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
96
Aromatic heavy atom count
36
Fraction Csp3
0.57
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
2
Molar refractivity
401.12
TPSA
55.38
LogP / Solubility
WLOGP
25.53
MLOGP
22.63
XLogP3
25.53
Consensus LogP
24.56
Log S (ESOL)
-25.19
Class (ESOL)
Insoluble
Log S (Ali)
-30.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-32.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
5.78
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
5.5
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