CAS RN: 375-19-9
HEPTAFLUOROBUTYRYLAMIDINE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS375-19-9
- Purity/Analytical Methods: >99.0%
375-19-9 / 2,2,3,3,4,4,4-heptafluorobutanimidamide
Basic Information
CAS
375-19-9
Multi CAS
Yes
Molecular Formula
C4F7H3N2
Molecular Weight
212.070000
Exact Mass
212.018445
InChI
InChI=1S/C4H3F7N2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H3,12,13)
InChIKey
HYMJOTOLJAHZCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
27.86
TPSA
49.87
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.77
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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