CAS RN: 1221257-43-7
Indolin-5-ol hydrobroMide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260519 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS1221257-43-7
- Purity/Analytical Methods: >99.0%
1221257-43-7 / 2,3-dihydro-1H-indol-5-ol;hydrobromide
Basic Information
CAS
1221257-43-7
Multi CAS
No
Molecular Formula
C8H10BrNO
Molecular Weight
216.070000
Exact Mass
214.994580
SMILES
C1CNC2=C1C=C(C=C2)O.Br
InChI
InChI=1S/C8H9NO.BrH/c10-7-1-2-8-6(5-7)3-4-9-8;/h1-2,5,9-10H,3-4H2;1H
InChIKey
POCNCYJKKJBVBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.62
TPSA
32.26
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.94
Consensus LogP
1.86
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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