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CAS 50776-26-6 4-METHYL-3,4-DIHYDRO-2H-CYCLOPENTA[B]INDOL-1-ONE molecular structure lightbox
CAS RN: 50776-26-6

4-METHYL-3,4-DIHYDRO-2H-CYCLOPENTA[B]INDOL-1-ONE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS50776-26-6
  • Purity/Analytical Methods: >99.0%
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50776-26-6 / 4-methyl-2,3-dihydrocyclopenta[b]indol-1-one

Standard CAS: 50776-26-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50776-26-6
Multi CAS
No
Molecular Formula
C12H11NO
Molecular Weight
185.220000
Exact Mass
185.084064
InChI
InChI=1S/C12H11NO/c1-13-9-5-3-2-4-8(9)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3
InChIKey
WOLBUCVAZJNGTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
55.57
TPSA
22

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
1.8
Consensus LogP
2.05
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.21

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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