CAS RN: 49778-01-0
IMINO-TRIS(DIMETHYLAMINO)PHOSPHORANE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS49778-01-0
- Purity/Analytical Methods: >99.0%
49778-01-0 / N-[bis(dimethylamino)phosphinimyl]-N-methylmethanamine
Basic Information
CAS
49778-01-0
Multi CAS
No
Molecular Formula
C6H19N4P
Molecular Weight
178.220000
Exact Mass
178.134734
InChI
InChI=1S/C6H19N4P/c1-8(2)11(7,9(3)4)10(5)6/h7H,1-6H3
InChIKey
GKTNLYAAZKKMTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.7
TPSA
33.57
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.4
Consensus LogP
1.22
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
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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- Product Code: starshine_CAS49783-72-4
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