CAS RN: 279251-08-0
1H-Imidazole-4-carboxaldehyde, 2-(2-pyridinyl)- (9CI)
- Product code: SSC-128424
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, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
279251-08-0 / 2-pyridin-2-yl-1H-imidazole-5-carbaldehyde
Basic Information
CAS
279251-08-0
Multi CAS
No
Molecular Formula
C9H7N3O
Molecular Weight
173.170000
Exact Mass
173.058912
InChI
InChI=1S/C9H7N3O/c13-6-7-5-11-9(12-7)8-3-1-2-4-10-8/h1-6H,(H,11,12)
InChIKey
JYJQYZQOISNECN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.21
TPSA
58.64
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
0.5
Consensus LogP
0.97
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-2.86
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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![CAS 279254-14-7 Tert-Butyl 3-Bromo-5,6-Dihydrospiro[Benzo[D]Imidazo[1,2-A]Azepine-11,4′-Piperidine]-1′-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/279254-14-7.gif)
