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CAS 80360-20-9 1-(PHENYLSULFONYL)-1H-INDOLE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 80360-20-9

1-(PHENYLSULFONYL)-1H-INDOLE-3-CARBALDEHYDE

  • Product code: SSC-189244
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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: 5g
  • 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 80360-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

80360-20-9 / 1-(benzenesulfonyl)indole-3-carbaldehyde

Standard CAS: 80360-20-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80360-20-9
Multi CAS
Yes
Molecular Formula
C15H11NO3S
Molecular Weight
285.300000
Exact Mass
285.045964
InChI
InChI=1S/C15H11NO3S/c17-11-12-10-16(15-9-5-4-8-14(12)15)20(18,19)13-6-2-1-3-7-13/h1-11H
InChIKey
ZLARITBCJILRBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
76.35
TPSA
56.14

LogP / Solubility

WLOGP
2.69
MLOGP
2.38
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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