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CAS 1032815-07-8 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-chloro-1-(phenylsulfonyl)- molecular structure lightbox
CAS RN: 1032815-07-8

1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-chloro-1-(phenylsulfonyl)-

  • Product code: SSC-004730
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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 1032815-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1032815-07-8 / 1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-5-carbaldehyde

1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXALDEHYDE, 4-CHLORO-1-(PHENYLSULFONYL)- | 4-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde | SCHEMBL1134990

Standard CAS: 1032815-07-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1032815-07-8
Multi CAS
Yes
Molecular Formula
C14H9ClN2O3S
Molecular Weight
320.800000
Exact Mass
320.002241
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C(=CN=C32)C=O)Cl
InChI
InChI=1S/C14H9ClN2O3S/c15-13-10(9-18)8-16-14-12(13)6-7-17(14)21(19,20)11-4-2-1-3-5-11/h1-9H
InChIKey
IANMELYZHOCMCB-UHFFFAOYSA-N
Synonyms
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXALDEHYDE, 4-CHLORO-1-(PHENYLSULFONYL)- 4-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde SCHEMBL1134990 SCHEMBL29817507 IANMELYZHOCMCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
79.16
TPSA
69.03

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.6
Consensus LogP
2.59
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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
No
Log Kp (skin permeation)
-2.73

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
2.5

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