CAS RN: 2092452-49-6
2-(6-bromo-1H-indol-4-yl)propan-2-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.20250509 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2092452-49-6
- Purity/Analytical Methods: >99.0%
2092452-49-6 / 2-(6-bromo-1H-indol-4-yl)propan-2-ol
Basic Information
CAS
2092452-49-6
Multi CAS
No
Molecular Formula
C11H12BrNO
Molecular Weight
254.120000
Exact Mass
253.010230
SMILES
CC(C)(C1=C2C=CNC2=CC(=C1)Br)O
InChI
InChI=1S/C11H12BrNO/c1-11(2,14)9-5-7(12)6-10-8(9)3-4-13-10/h3-6,13-14H,1-2H3
InChIKey
DUEZKRHIWQRADZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
61.24
TPSA
36.02
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
2.4
Consensus LogP
2.78
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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