CAS RN: 1197397-89-9

CBL0137 (hydrochloride)

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  • Product code: starshine_CAS1197397-89-9
  • Purity/Analytical Methods: >99.0%
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1197397-89-9 / 1-[6-acetyl-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone;hydrochloride

CBLC137 | RefChem:918151 | CBL0137 hydrochloride

Standard CAS: 1197397-89-9 Multi CAS: Yes

Basic Information

CAS
1197397-89-9
Multi CAS
Yes
Molecular Formula
C21H25ClN2O2
Molecular Weight
372.900000
Exact Mass
372.160456
SMILES
CC(C)NCCN1C2=C(C=C(C=C2)C(=O)C)C3=C1C=CC(=C3)C(=O)C.Cl
InChI
InChI=1S/C21H24N2O2.ClH/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23;/h5-8,11-13,22H,9-10H2,1-4H3;1H
InChIKey
IXRKBBVMDMKAEB-UHFFFAOYSA-N
Synonyms
CBLC137 RefChem:918151 CBL0137 hydrochloride cblc137 hydrochloride UNII-FOY14S7DFX

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
109.84
TPSA
51.1

LogP / Solubility

WLOGP
4.62
MLOGP
4.09
XLogP3
4.62
Consensus LogP
4.44
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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