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CAS 134601-87-9 9-chloro-2-cyclohexyl-4H-imidazo[4,5,1-ij]quinolin-6(5H)-one(WXC06547) molecular structure lightbox
CAS RN: 134601-87-9

9-chloro-2-cyclohexyl-4H-imidazo[4,5,1-ij]quinolin-6(5H)-one(WXC06547)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251108 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS134601-87-9
  • Purity/Analytical Methods: >99.0%
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134601-87-9 / 5-chloro-2-cyclohexyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-one

Standard CAS: 134601-87-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134601-87-9
Multi CAS
No
Molecular Formula
C16H17ClN2O
Molecular Weight
288.770000
Exact Mass
288.102941
SMILES
C1CCC(CC1)C2=NC3=C(C=CC4=C3N2CCC4=O)Cl
InChI
InChI=1S/C16H17ClN2O/c17-12-7-6-11-13(20)8-9-19-15(11)14(12)18-16(19)10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2
InChIKey
IXJIBCJHNGHBML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
79.52
TPSA
34.89

LogP / Solubility

WLOGP
4.32
MLOGP
3.82
XLogP3
3.7
Consensus LogP
3.95
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

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

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