![CAS 2056277-99-5 2-Bromo-6-phenyl[1,2,4]triazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2056277-99-5.png)
CAS RN: 2056277-99-5
2-Bromo-6-phenyl[1,2,4]triazolo[1,5-a]pyridine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251220 | 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2056277-99-5
- Purity/Analytical Methods: >99.0%
2056277-99-5 / 2-bromo-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
Basic Information
CAS
2056277-99-5
Multi CAS
No
Molecular Formula
C12H8BrN3
Molecular Weight
274.120000
Exact Mass
272.990160
SMILES
C1=CC=C(C=C1)C2=CN3C(=NC(=N3)Br)C=C2
InChI
InChI=1S/C12H8BrN3/c13-12-14-11-7-6-10(8-16(11)15-12)9-4-2-1-3-5-9/h1-8H
InChIKey
GBHPYFUDBVNLPK-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
3.4
Consensus LogP
3.12
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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