![CAS 1639115-99-3 3,8-dimethyl-6-nitro-[1,2,4]triazolo[4,3-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1639115-99-3.gif)
CAS RN: 1639115-99-3
3,8-dimethyl-6-nitro-[1,2,4]triazolo[4,3-a]pyridine
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.20251010 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-071503
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1639115-99-3 / 3,8-dimethyl-6-nitro-[1,2,4]triazolo[4,3-a]pyridine
Basic Information
CAS
1639115-99-3
Multi CAS
No
Molecular Formula
C8H8N4O2
Molecular Weight
192.170000
Exact Mass
192.064726
SMILES
CC1=CC(=CN2C1=NN=C2C)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O2/c1-5-3-7(12(13)14)4-11-6(2)9-10-8(5)11/h3-4H,1-2H3
InChIKey
GKMNUWYJEWYKIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
49.12
TPSA
73.33
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1.8
Consensus LogP
1.38
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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