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CAS 67864-03-3 2,3-DIHYDRO-4-METHYL-1H-INDEN-1-OL molecular structure lightbox
CAS RN: 67864-03-3

2,3-DIHYDRO-4-METHYL-1H-INDEN-1-OL

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260527 10g Out of stock Inquiry
Batchno.20250127 1g Out of stock Inquiry
Batchno.20250816 250mg Out of stock Inquiry
Batchno.20260130 5g Out of stock Inquiry
  • Product code: starshine_CAS67864-03-3
  • Purity/Analytical Methods: >99.0%
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67864-03-3 / 4-methyl-2,3-dihydro-1H-inden-1-ol

Standard CAS: 67864-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67864-03-3
Multi CAS
No
Molecular Formula
C10H12O
Molecular Weight
148.200000
Exact Mass
148.088815
InChI
InChI=1S/C10H12O/c1-7-3-2-4-9-8(7)5-6-10(9)11/h2-4,10-11H,5-6H2,1H3
InChIKey
JTUTZTVFJIHGGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.46
TPSA
20.23

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.8
Consensus LogP
1.83
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.22

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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