![CAS 1380331-50-9 (2-Bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-carbamic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380331-50-9.gif)
CAS RN: 1380331-50-9
(2-Bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-carbamic acid tert-butyl ester
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.20250410 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-048016
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 |
1380331-50-9 / tert-butyl N-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate
Basic Information
CAS
1380331-50-9
Multi CAS
No
Molecular Formula
C11H13BrN4O2
Molecular Weight
313.150000
Exact Mass
312.022190
SMILES
CC(C)(C)OC(=O)NC1=CC2=NC(=NN2C=C1)Br
InChI
InChI=1S/C11H13BrN4O2/c1-11(2,3)18-10(17)13-7-4-5-16-8(6-7)14-9(12)15-16/h4-6H,1-3H3,(H,13,17)
InChIKey
JRZKQXJJQXAXGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.54
TPSA
68.52
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
2.3
Consensus LogP
2.55
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
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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