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CAS 773868-89-6 1H-Indole-3-Methanol, 7-Methyl- molecular structure lightbox
CAS RN: 773868-89-6

1H-Indole-3-Methanol, 7-Methyl-

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Batchno.20250324 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS773868-89-6
  • Purity/Analytical Methods: >99.0%
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773868-89-6 / (7-methyl-1H-indol-3-yl)methanol

Standard CAS: 773868-89-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
773868-89-6
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
InChI
InChI=1S/C10H11NO/c1-7-3-2-4-9-8(6-12)5-11-10(7)9/h2-5,11-12H,6H2,1H3
InChIKey
UMXJDKDRSWZQEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
48.96
TPSA
36.02

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.5
Consensus LogP
1.73
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.31

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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