![CAS 1251002-97-7 tert-butyl 3-bromo-6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251002-97-7.gif)
CAS RN: 1251002-97-7
tert-butyl 3-bromo-6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxylate
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.20250228 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-029675
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 | Shanghai | Inquiry |
1251002-97-7 / tert-butyl 3-bromo-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
Basic Information
CAS
1251002-97-7
Multi CAS
No
Molecular Formula
C10H15BrN4O2
Molecular Weight
303.160000
Exact Mass
302.037840
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(N=N2)Br)C1
InChI
InChI=1S/C10H15BrN4O2/c1-10(2,3)17-9(16)14-4-5-15-7(6-14)8(11)12-13-15/h4-6H2,1-3H3
InChIKey
HLJXWJWZHWZDCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
64.37
TPSA
60.25
LogP / Solubility
WLOGP
1.79
MLOGP
1.59
XLogP3
1.1
Consensus LogP
1.49
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3
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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