CAS RN: 7746-30-7
5,6-DIMETHOXY-1H-INDAZOLE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS7746-30-7
- Purity/Analytical Methods: >99.0%
7746-30-7 / 5,6-dimethoxy-1H-indazole
Basic Information
CAS
7746-30-7
Multi CAS
No
Molecular Formula
C9H10N2O2
Molecular Weight
178.190000
Exact Mass
178.074228
InChI
InChI=1S/C9H10N2O2/c1-12-8-3-6-5-10-11-7(6)4-9(8)13-2/h3-5H,1-2H3,(H,10,11)
InChIKey
HGEDPIMZZWIYDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.2
TPSA
47.14
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.5
Consensus LogP
1.49
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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