![CAS 17326-27-1 2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/17326-27-1.gif)
CAS RN: 17326-27-1
2-chloro-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde(SALTDATA: FREE)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251217 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251028 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20251128 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250319 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260605 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-076088
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
17326-27-1 / 2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
Basic Information
CAS
17326-27-1
Multi CAS
No
Molecular Formula
C10H7ClN2O2
Molecular Weight
222.630000
Exact Mass
222.019605
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)C=O)Cl
InChI
InChI=1S/C10H7ClN2O2/c1-6-3-2-4-13-9(6)12-8(11)7(5-14)10(13)15/h2-5H,1H3
InChIKey
GRPNAYGQWRHKDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
56.6
TPSA
51.44
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
1
Consensus LogP
1.26
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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