CAS RN: 39943-56-1
3,5-DICHLOROPHENYLHYDRAZINE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS39943-56-1
- Purity/Analytical Methods: >99.0%
39943-56-1 / (3,5-dichlorophenyl)hydrazine
Basic Information
CAS
39943-56-1
Multi CAS
No
Molecular Formula
C6H6CL2N2
Molecular Weight
177.030000
Exact Mass
175.990804
InChI
InChI=1S/C6H6Cl2N2/c7-4-1-5(8)3-6(2-4)10-9/h1-3,10H,9H2
InChIKey
ZQOCIFROLPHOEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.27
TPSA
38.05
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.18
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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