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CAS 23046-68-6 6-CHLORO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINEHYDROCHLORIDE molecular structure lightbox
CAS RN: 23046-68-6

6-CHLORO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINEHYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23046-68-6
  • Purity/Analytical Methods: >99.0%
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23046-68-6 / 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Standard CAS: 23046-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23046-68-6
Multi CAS
No
Molecular Formula
C11H11ClN2
Molecular Weight
206.670000
Exact Mass
206.061076
SMILES
C1CNCC2=C1C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C11H11ClN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-2,5,13-14H,3-4,6H2
InChIKey
SXHJWBRJNQZWBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.27
H-bond acceptors
1
H-bond donors
2
Molar refractivity
58.72
TPSA
27.82

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
2.1
Consensus LogP
2.25
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

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

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