CAS RN: 928325-26-2
5-(2-fluoropyridin-3-yl)-1H-pyrrole-3-carbaldehyde
- Product code: SSC-206711
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 5g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
928325-26-2 / 5-(2-fluoro-3-pyridinyl)-1H-pyrrole-3-carbaldehyde
Basic Information
CAS
928325-26-2
Multi CAS
No
Molecular Formula
C10FH7N2O
Molecular Weight
190.170000
Exact Mass
190.054241
InChI
InChI=1S/C10H7FN2O/c11-10-8(2-1-3-12-10)9-4-7(6-14)5-13-9/h1-6,13H
InChIKey
NSWULGUFWNCOHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.37
TPSA
45.75
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
1.2
Consensus LogP
1.67
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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