CAS RN: 57625-08-8
AZADO
Product Availability
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5 package records3 with current stock2 grade groups
- Product code: starshine_CAS57625-08-8
- Purity/Analytical Methods: >99.0%
57625-08-8 / AZADO
Basic Information
CAS
57625-08-8
Multi CAS
Yes
Molecular Formula
C9H14NO
Molecular Weight
152.210000
Exact Mass
152.107539
InChI
InChI=1S/C9H14NO/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
InChIKey
BCJCJALHNXSXKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
40.17
TPSA
23.14
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.7
Consensus LogP
1.56
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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![CAS 57626-37-6 ETHYL 3-METHYL-IMIDAZO[2,1-B]THIAZOLE 4-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57626-37-6.gif)
