![CAS 1313712-48-9 8-Chloro-6-Methyl-[1,2,4]triazolo[1,5-a]pyridin-2-ylaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1313712-48-9.gif)
CAS RN: 1313712-48-9
8-Chloro-6-Methyl-[1,2,4]triazolo[1,5-a]pyridin-2-ylaMine
- Product code: SSC-038179
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 |
1313712-48-9 / 8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Basic Information
CAS
1313712-48-9
Multi CAS
No
Molecular Formula
C7H7ClN4
Molecular Weight
182.610000
Exact Mass
182.035924
SMILES
CC1=CN2C(=NC(=N2)N)C(=C1)Cl
InChI
InChI=1S/C7H7ClN4/c1-4-2-5(8)6-10-7(9)11-12(6)3-4/h2-3H,1H3,(H2,9,11)
InChIKey
GPWFIOYGGIXBSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.15
TPSA
56.21
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
1.4
Consensus LogP
1.26
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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