CAS RN: 105205-64-9
2-(1H-indol-7-yl)propan-2-ol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250201 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS105205-64-9
- Purity/Analytical Methods: >99.0%
105205-64-9 / 2-(1H-indol-7-yl)propan-2-ol
2-(1H-Indol-7-yl)propan-2-ol | DTXSID20547043 | DB-329071
Basic Information
CAS
105205-64-9
Multi CAS
Yes
Molecular Formula
C11H13NO
Molecular Weight
175.230000
Exact Mass
175.099714
SMILES
CC(C)(C1=CC=CC2=C1NC=C2)O
InChI
InChI=1S/C11H13NO/c1-11(2,13)9-5-3-4-8-6-7-12-10(8)9/h3-7,12-13H,1-2H3
InChIKey
CAIZDQCDMYHFQS-UHFFFAOYSA-N
Synonyms
2-(1H-Indol-7-yl)propan-2-ol
DTXSID20547043
DB-329071
CS-0272982
H52272
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
53.54
TPSA
36.02
LogP / Solubility
WLOGP
2.4
MLOGP
2.1
XLogP3
1.9
Consensus LogP
2.13
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.09
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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