CAS RN: 300843-36-1
1-CHLOROPHTHALAZINE HCL
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS300843-36-1
- Purity/Analytical Methods: >99.0%
300843-36-1 / 1-chlorophthalazine;hydrochloride
Basic Information
CAS
300843-36-1
Multi CAS
No
Molecular Formula
C8H6CL2N2
Molecular Weight
201.050000
Exact Mass
199.990804
InChI
InChI=1S/C8H5ClN2.ClH/c9-8-7-4-2-1-3-6(7)5-10-11-8;/h1-5H;1H
InChIKey
VWXKUBPEUUXLPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.8
TPSA
25.78
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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