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CAS 2358-35-2 3-fluoro-1H-pyrrole molecular structure lightbox
CAS RN: 2358-35-2

3-fluoro-1H-pyrrole

  • Product code: SSC-114708
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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: 0.1g, 0.25g, 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 2358-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

2358-35-2 / 3-fluoro-1H-pyrrole

Standard CAS: 2358-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2358-35-2
Multi CAS
No
Molecular Formula
C4H4FN
Molecular Weight
85.080000
Exact Mass
85.032777
SMILES
C1=CNC=C1F
InChI
InChI=1S/C4H4FN/c5-4-1-2-6-3-4/h1-3,6H
InChIKey
XMMFKXRGHKXAGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
20.75
TPSA
15.79

LogP / Solubility

WLOGP
1.15
MLOGP
1
XLogP3
0.8
Consensus LogP
0.98
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

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

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