CAS RN: 279251-10-4
1H-Imidazole-4-carboxaldehyde, 2-(4-pyridinyl)- (9CI)
- Product code: SSC-128426
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
279251-10-4 / 2-pyridin-4-yl-1H-imidazole-5-carbaldehyde
Basic Information
CAS
279251-10-4
Multi CAS
Yes
Molecular Formula
C9H7N3O
Molecular Weight
173.170000
Exact Mass
173.058912
InChI
InChI=1S/C9H7N3O/c13-6-8-5-11-9(12-8)7-1-3-10-4-2-7/h1-6H,(H,11,12)
InChIKey
LYPJSZCDOMJXFU-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
0.4
Consensus LogP
0.94
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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