CAS RN: 53590-58-2
(6-CHLORO-1H-INDOL-2-YL)-METHANOL
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.20251126 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS53590-58-2
- Purity/Analytical Methods: >99.0%
53590-58-2 / (6-chloro-1H-indol-2-yl)methanol
Basic Information
CAS
53590-58-2
Multi CAS
No
Molecular Formula
C9H8CLNO
Molecular Weight
181.620000
Exact Mass
181.029442
InChI
InChI=1S/C9H8ClNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-4,11-12H,5H2
InChIKey
QHPJEFKYIRFYMZ-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
49.23
TPSA
36.02
LogP / Solubility
WLOGP
2.31
MLOGP
2.03
XLogP3
1.8
Consensus LogP
2.05
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.19
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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- Product Code: starshine_CAS53595-68-9
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