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CAS 209286-85-1 5-Chloro-1-(phenylsulfonyl)-4-azaindole molecular structure lightbox
CAS RN: 209286-85-1

5-Chloro-1-(phenylsulfonyl)-4-azaindole

  • Product code: SSC-099095
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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 209286-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

209286-85-1 / 1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine

Standard CAS: 209286-85-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209286-85-1
Multi CAS
No
Molecular Formula
C13H9ClN2O2S
Molecular Weight
292.740000
Exact Mass
292.007326
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=N3)Cl
InChI
InChI=1S/C13H9ClN2O2S/c14-13-7-6-12-11(15-13)8-9-16(12)19(17,18)10-4-2-1-3-5-10/h1-9H
InChIKey
ZEGAUAITJNVRLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
73.77
TPSA
51.96

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
3.2
Consensus LogP
2.91
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly 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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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