CAS RN: 149968-36-5
1,3-BIS(DI-T-BUTYLPHOSPHINOMETHYL)BENZENE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-059917
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: ≥99%
- 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 | ≥99% | 0 Out of Stock | Shenzhen | Inquiry |
149968-36-5 / ditert-butyl-[[3-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane
Basic Information
CAS
149968-36-5
Multi CAS
No
Molecular Formula
C24H44P2
Molecular Weight
394.600000
Exact Mass
394.291825
SMILES
CC(C)(C)P(CC1=CC(=CC=C1)CP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C24H44P2/c1-21(2,3)25(22(4,5)6)17-19-14-13-15-20(16-19)18-26(23(7,8)9)24(10,11)12/h13-16H,17-18H2,1-12H3
InChIKey
VNLHPVUKSKTUPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
4
Molar refractivity
126.7
TPSA
0.0000
LogP / Solubility
WLOGP
8.84
MLOGP
7.81
XLogP3
4.9
Consensus LogP
7.18
Log S (ESOL)
-7.77
Class (ESOL)
Insoluble
Log S (Ali)
-9.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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