CAS RN: 439811-22-0
6-Quinazolinecarboxaldehyde (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250103 | 25mg | In stock | Shanghai | Inquiry |
- Product code: SSC-152044
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
439811-22-0 / quinazoline-6-carbaldehyde
Basic Information
CAS
439811-22-0
Multi CAS
No
Molecular Formula
C9H6N2O
Molecular Weight
158.160000
Exact Mass
158.048013
InChI
InChI=1S/C9H6N2O/c12-5-7-1-2-9-8(3-7)4-10-6-11-9/h1-6H
InChIKey
HGIYUCGNFWTGMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.93
TPSA
42.85
LogP / Solubility
WLOGP
1.44
MLOGP
1.26
XLogP3
0.5
Consensus LogP
1.07
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.66
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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