CAS RN: 2380-82-7
6-hydroxy-5-methoxyindole
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.20260102 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2380-82-7
- Purity/Analytical Methods: >99.0%
2380-82-7 / 5-methoxy-1H-indol-6-ol
Basic Information
CAS
2380-82-7
Multi CAS
No
Molecular Formula
C9H9NO2
Molecular Weight
163.170000
Exact Mass
163.063329
SMILES
COC1=C(C=C2C(=C1)C=CN2)O
InChI
InChI=1S/C9H9NO2/c1-12-9-4-6-2-3-10-7(6)5-8(9)11/h2-5,10-11H,1H3
InChIKey
RWEBZZKCIMKUTO-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
2
H-bond donors
2
Molar refractivity
46.52
TPSA
45.25
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.38
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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