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CAS 149281-19-6 CGP-53153 molecular structure lightbox
CAS RN: 149281-19-6

CGP-53153

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS149281-19-6
  • Purity/Analytical Methods: >99.0%
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149281-19-6 / (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-cyanopropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

Standard CAS: 149281-19-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149281-19-6
Multi CAS
No
Molecular Formula
C23H33N3O2
Molecular Weight
383.500000
Exact Mass
383.257277
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C#N)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H33N3O2/c1-21(2,13-24)26-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)25-18)16(14)9-11-22(15,17)3/h10,12,14-18H,5-9,11H2,1-4H3,(H,25,27)(H,26,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
InChIKey
OESNKOKTKJVMIR-WSBQPABSSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
106.78
TPSA
81.99

LogP / Solubility

WLOGP
3.32
MLOGP
2.94
XLogP3
2.4
Consensus LogP
2.89
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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