![CAS 1380331-12-3 7-broMo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380331-12-3.gif)
CAS RN: 1380331-12-3
7-broMo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
- Product code: SSC-048009
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 |
1380331-12-3 / 7-bromo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
Basic Information
CAS
1380331-12-3
Multi CAS
No
Molecular Formula
C12H8BrN3
Molecular Weight
274.120000
Exact Mass
272.990160
SMILES
C1=CC=C(C=C1)C2=NN3C=CC(=CC3=N2)Br
InChI
InChI=1S/C12H8BrN3/c13-10-6-7-16-11(8-10)14-12(15-16)9-4-2-1-3-5-9/h1-8H
InChIKey
VINDHFKEGLBYML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.12
TPSA
30.19
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
3.1
Consensus LogP
3.02
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
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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