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CAS 17952-83-9 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one molecular structure lightbox
CAS RN: 17952-83-9

6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-079958
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17952-83-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

17952-83-9 / 6-chloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

Standard CAS: 17952-83-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17952-83-9
Multi CAS
No
Molecular Formula
C11H9ClN2O
Molecular Weight
220.650000
Exact Mass
220.040341
SMILES
C1CNC(=O)C2=C1C3=C(N2)C=CC(=C3)Cl
InChI
InChI=1S/C11H9ClN2O/c12-6-1-2-9-8(5-6)7-3-4-13-11(15)10(7)14-9/h1-2,5,14H,3-4H2,(H,13,15)
InChIKey
LEAGCIWJKRFYRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
H-bond acceptors
1
H-bond donors
2
Molar refractivity
59.35
TPSA
44.89

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2.3
Consensus LogP
2.09
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-2.57

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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