![CAS 326921-37-3 Phosphine oxide, bis[4-(1,1-dimethylethyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/326921-37-3.gif)
CAS RN: 326921-37-3
Phosphine oxide, bis[4-(1,1-dimethylethyl)phenyl]-
- Product code: SSC-138334
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 | Shanghai | Inquiry |
326921-37-3 / bis(4-tert-butylphenyl)-oxophosphanium
Basic Information
CAS
326921-37-3
Multi CAS
No
Molecular Formula
C20H26OP
Molecular Weight
313.400000
Exact Mass
313.172127
InChI
InChI=1S/C20H26OP/c1-19(2,3)15-7-11-17(12-8-15)22(21)18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3/q+1
InChIKey
WLQIAVPVRXPZJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
97.16
TPSA
17.07
LogP / Solubility
WLOGP
5.06
MLOGP
4.47
XLogP3
5.8
Consensus LogP
5.11
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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