CAS RN: 1620882-90-7
2-Butenyl(di-tert-butyl)phosphine (cis- and trans- mixture)
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: ICTB4644
- Purity/Analytical Methods: >90.0%(GC)
1620882-90-7 / [(E)-but-2-enyl]-ditert-butylphosphane
Basic Information
CAS
1620882-90-7
Multi CAS
No
Molecular Formula
C12H25P
Molecular Weight
200.300000
Exact Mass
200.169388
SMILES
C/C=C/CP(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C12H25P/c1-8-9-10-13(11(2,3)4)12(5,6)7/h8-9H,10H2,1-7H3/b9-8+
InChIKey
UOOODANZONJOKI-CMDGGOBGSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.83
Rotatable bonds
2
Molar refractivity
66.11
TPSA
0.0000
LogP / Solubility
WLOGP
4.64
MLOGP
4.08
XLogP3
2.8
Consensus LogP
3.84
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-0.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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