CAS RN: 54544-67-1
Isoindolin-5-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250326 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54544-67-1
- Purity/Analytical Methods: >99.0%
54544-67-1 / 2,3-dihydro-1H-isoindol-5-ol
Basic Information
CAS
54544-67-1
Multi CAS
No
Molecular Formula
C8H9NO
Molecular Weight
135.160000
Exact Mass
135.068414
InChI
InChI=1S/C8H9NO/c10-8-2-1-6-4-9-5-7(6)3-8/h1-3,9-10H,4-5H2
InChIKey
URZKENDTAFDRKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.65
TPSA
32.26
LogP / Solubility
WLOGP
1
MLOGP
0.87
XLogP3
0.5
Consensus LogP
0.79
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-2.84
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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