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CAS 767-59-9 1-Methylindene molecular structure lightbox
CAS RN: 767-59-9

1-Methylindene

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Batchno.20250804 1g In stock Shanghai Inquiry
  • Product code: starshine_CAS767-59-9
  • Purity/Analytical Methods: >99.0%
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767-59-9 / 1-methyl-1H-indene

Standard CAS: 767-59-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
767-59-9
Multi CAS
No
Molecular Formula
C10H10
Molecular Weight
130.190000
Exact Mass
130.078250
InChI
InChI=1S/C10H10/c1-8-6-7-9-4-2-3-5-10(8)9/h2-8H,1H3
InChIKey
LRTOHSLOFCWHRF-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Molar refractivity
43.89
TPSA
0.0000

LogP / Solubility

WLOGP
2.82
MLOGP
2.47
XLogP3
3
Consensus LogP
2.76
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-1.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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