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CAS 135855-26-4 6-Hydroxy-2-methyl-5-methoxyindole molecular structure lightbox
CAS RN: 135855-26-4

6-Hydroxy-2-methyl-5-methoxyindole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 100mg Out of stock 15 business days Inquiry
  • Product code: LINH929572
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135855-26-4 / 5-methoxy-2-methyl-1H-indol-6-ol

Standard CAS: 135855-26-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135855-26-4
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
CC1=CC2=CC(=C(C=C2N1)O)OC
InChI
InChI=1S/C10H11NO2/c1-6-3-7-4-10(13-2)9(12)5-8(7)11-6/h3-5,11-12H,1-2H3
InChIKey
KCZRTDKNQXMPHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.25
TPSA
45.25

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
2.1
Consensus LogP
2.07
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.25

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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