![CAS 1319067-83-8 [1,2,4]Triazolo[1,5-a]pyridin-2-amine, 8-(phenylmethoxy)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1319067-83-8.gif)
CAS RN: 1319067-83-8
[1,2,4]Triazolo[1,5-a]pyridin-2-amine, 8-(phenylmethoxy)-
- Product code: SSC-038980
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 | Beijing | Inquiry |
1319067-83-8 / 8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Basic Information
CAS
1319067-83-8
Multi CAS
No
Molecular Formula
C13H12N4O
Molecular Weight
240.260000
Exact Mass
240.101111
SMILES
C1=CC=C(C=C1)COC2=CC=CN3C2=NC(=N3)N
InChI
InChI=1S/C13H12N4O/c14-13-15-12-11(7-4-8-17(12)16-13)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,14,16)
InChIKey
QBGCXENLRSAFKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.17
TPSA
65.44
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly 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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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