![CAS 916325-84-3 ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylat molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/916325-84-3.gif)
CAS RN: 916325-84-3
ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylat
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260201 | 100mg / 250mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-204963
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 | Hong Kong | Inquiry |
916325-84-3 / methyl 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
Basic Information
CAS
916325-84-3
Multi CAS
Yes
Molecular Formula
BC8H6O2Rn3
Molecular Weight
256.060000
Exact Mass
254.964340
InChI
InChI=1S/C8H6BrN3O2/c1-14-8(13)6-5-2-4(9)3-10-7(5)12-11-6/h2-3H,1H3,(H,10,11,12)
InChIKey
NWAGLGKQKQZPHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.93
TPSA
67.87
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.7
Consensus LogP
1.51
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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