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CAS 940948-30-1 1-Benzenesulfonyl-4-chloro-2-iodo-7-azaindole molecular structure lightbox
CAS RN: 940948-30-1

1-Benzenesulfonyl-4-chloro-2-iodo-7-azaindole

  • Product code: SSC-208648
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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: ＞97%
  • 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 940948-30-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

940948-30-1 / 1-(benzenesulfonyl)-4-chloro-2-iodopyrrolo[2,3-b]pyridine

Standard CAS: 940948-30-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
940948-30-1
Multi CAS
No
Molecular Formula
C14H8LiN2O2S
Molecular Weight
418.640000
Exact Mass
417.903970
InChI
InChI=1S/C13H8ClIN2O2S/c14-11-6-7-16-13-10(11)8-12(15)17(13)20(18,19)9-4-2-1-3-5-9/h1-8H
InChIKey
QOYGFOVKGYRFHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
86.49
TPSA
51.96

LogP / Solubility

WLOGP
3.53
MLOGP
3.13
XLogP3
3.8
Consensus LogP
3.49
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

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

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