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CAS 928324-56-5 4-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde molecular structure lightbox
CAS RN: 928324-56-5

4-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde

  • Product code: SSC-206708
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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: 0.25g
  • 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 928324-56-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

928324-56-5 / 4-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde

Standard CAS: 928324-56-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
928324-56-5
Multi CAS
No
Molecular Formula
C11H7CLFNO
Molecular Weight
223.630000
Exact Mass
223.020020
InChI
InChI=1S/C11H7ClFNO/c12-10-7(6-15)5-14-11(10)8-3-1-2-4-9(8)13/h1-6,14H
InChIKey
GIVGVEJDOHMXJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.58
TPSA
32.86

LogP / Solubility

WLOGP
3.29
MLOGP
2.9
XLogP3
2.6
Consensus LogP
2.93
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
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)
-1.75

Drug-likeness / Medicinal Chemistry

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

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