CAS RN: 127168-98-3
ISOINDOLIN-5-YLMETHANOL
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.20251002 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS127168-98-3
- Purity/Analytical Methods: >99.0%
127168-98-3 / 2,3-dihydro-1H-isoindol-5-ylmethanol
Basic Information
CAS
127168-98-3
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
C1C2=C(CN1)C=C(C=C2)CO
InChI
InChI=1S/C9H11NO/c11-6-7-1-2-8-4-10-5-9(8)3-7/h1-3,10-11H,4-6H2
InChIKey
RNLBNPQIMFCASQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.91
TPSA
32.26
LogP / Solubility
WLOGP
0.78
MLOGP
0.68
Consensus LogP
0.49
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-3.07
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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