CAS RN: 92557-51-2
1H-Indole-3-methanol, 5-bromo-
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.20250506 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS92557-51-2
- Purity/Analytical Methods: >99.0%
92557-51-2 / (5-bromo-1H-indol-3-yl)methanol
Basic Information
CAS
92557-51-2
Multi CAS
No
Molecular Formula
BC9H8ORn
Molecular Weight
226.070000
Exact Mass
224.978930
InChI
InChI=1S/C9H8BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-4,11-12H,5H2
InChIKey
UBNBFZVNTVNJQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
51.92
TPSA
36.02
LogP / Solubility
WLOGP
2.42
MLOGP
2.14
XLogP3
1.1
Consensus LogP
1.89
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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