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CAS 26869-12-5 2-CHLORO-9H-PYRIDO[2,3-B]INDOLE molecular structure lightbox
CAS RN: 26869-12-5

2-CHLORO-9H-PYRIDO[2,3-B]INDOLE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS26869-12-5
  • Purity/Analytical Methods: >99.0%
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26869-12-5 / 2-chloro-9H-pyrido[2,3-b]indole

Standard CAS: 26869-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26869-12-5
Multi CAS
No
Molecular Formula
C11H7ClN2
Molecular Weight
202.640000
Exact Mass
202.029776
SMILES
C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)Cl
InChI
InChI=1S/C11H7ClN2/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H,13,14)
InChIKey
KKTJYGKCUULHIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.61
TPSA
28.68

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
3.9
Consensus LogP
3.41
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-1.56

Drug-likeness / Medicinal Chemistry

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

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