![CAS 705945-72-8 Bis(1,1-dimethylethyl)[2-[(1,1-dimethylethyl)methylphosphino]ethyl]phosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/705945-72-8.png)
CAS RN: 705945-72-8
Bis(1,1-dimethylethyl)[2-[(1,1-dimethylethyl)methylphosphino]ethyl]phosphine
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.20260605 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889772
705945-72-8 / ditert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]phosphane
Basic Information
CAS
705945-72-8
Multi CAS
No
Molecular Formula
C15H34P2
Molecular Weight
276.380000
Exact Mass
276.213575
InChI
InChI=1S/C15H34P2/c1-13(2,3)16(10)11-12-17(14(4,5)6)15(7,8)9/h11-12H2,1-10H3
InChIKey
JFCMFQOTPUSHFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
88.76
TPSA
0.0000
LogP / Solubility
WLOGP
5.98
MLOGP
5.27
XLogP3
2.6
Consensus LogP
4.62
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.78
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
No
Log Kp (skin permeation)
-0.16
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
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