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CAS 16244-15-8 1,2-dihydrocyclopenta[b]indol-3(4H)-one molecular structure lightbox
CAS RN: 16244-15-8

1,2-dihydrocyclopenta[b]indol-3(4H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250610 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS16244-15-8
  • Purity/Analytical Methods: >99.0%
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16244-15-8 / 2,4-dihydro-1H-cyclopenta[b]indol-3-one

Standard CAS: 16244-15-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16244-15-8
Multi CAS
No
Molecular Formula
C11H9NO
Molecular Weight
171.190000
Exact Mass
171.068414
SMILES
C1CC(=O)C2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C11H9NO/c13-10-6-5-8-7-3-1-2-4-9(7)12-11(8)10/h1-4,12H,5-6H2
InChIKey
VFWIQXDDUMNRKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.95
TPSA
32.86

LogP / Solubility

WLOGP
2.3
MLOGP
2.02
XLogP3
2.1
Consensus LogP
2.14
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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