CAS RN: 5848-65-7
TRIS(DIBUTYLAMINO)PHOSPHINE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS5848-65-7
- Purity/Analytical Methods: >99.0%
5848-65-7 / N-bis(dibutylamino)phosphanyl-N-butylbutan-1-amine
Basic Information
CAS
5848-65-7
Multi CAS
No
Molecular Formula
C24H54N3P
Molecular Weight
415.700000
Exact Mass
415.405536
InChI
InChI=1S/C24H54N3P/c1-7-13-19-25(20-14-8-2)28(26(21-15-9-3)22-16-10-4)27(23-17-11-5)24-18-12-6/h7-24H2,1-6H3
InChIKey
URQFNWOYQMPPKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
3
Molar refractivity
131.09
TPSA
9.72
LogP / Solubility
WLOGP
7.92
MLOGP
7
XLogP3
8.1
Consensus LogP
7.67
Log S (ESOL)
-6.02
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.46
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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