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CAS 153783-33-6 5-(4-Fluoro-phenyl)-1H-pyrrole-2-carboxylic acid molecular structure lightbox
CAS RN: 153783-33-6

5-(4-Fluoro-phenyl)-1H-pyrrole-2-carboxylic acid

  • Product code: SSC-063163
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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 153783-33-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

153783-33-6 / 5-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid

Standard CAS: 153783-33-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153783-33-6
Multi CAS
No
Molecular Formula
C11H8FNO2
Molecular Weight
205.180000
Exact Mass
205.053907
SMILES
C1=CC(=CC=C1C2=CC=C(N2)C(=O)O)F
InChI
InChI=1S/C11H8FNO2/c12-8-3-1-7(2-4-8)9-5-6-10(13-9)11(14)15/h1-6,13H,(H,14,15)
InChIKey
JVCQVJRWQGLYJY-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
2
Molar refractivity
53.15
TPSA
53.09

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-2.18

Drug-likeness / Medicinal Chemistry

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

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