CAS RN: 56183-63-2
Bis(diisopropylamino)chlorophosphine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: ICTB4035
- Purity/Analytical Methods: >97.0%(T)
56183-63-2 / N-[chloro-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine
Basic Information
CAS
56183-63-2
Multi CAS
No
Molecular Formula
C12H28CLN2P
Molecular Weight
266.790000
Exact Mass
266.167864
InChI
InChI=1S/C12H28ClN2P/c1-9(2)14(10(3)4)16(13)15(11(5)6)12(7)8/h9-12H,1-8H3
InChIKey
FEHUTHGOLLQBNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
77
TPSA
6.48
LogP / Solubility
WLOGP
4.69
MLOGP
4.13
XLogP3
4.4
Consensus LogP
4.41
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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