![CAS 1391732-40-3 5-Tert-Butyl 7-Methyl 1-Methyl-6,7-Dihydro-1H-[1,2,3]Triazolo[4,5-C]Pyridine-5,7(4H)-Dicarboxylate(WX141283) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391732-40-3.gif)
CAS RN: 1391732-40-3
5-Tert-Butyl 7-Methyl 1-Methyl-6,7-Dihydro-1H-[1,2,3]Triazolo[4,5-C]Pyridine-5,7(4H)-Dicarboxylate(WX141283)
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.20251220 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-049555
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1391732-40-3 / 5-O-tert-butyl 7-O-methyl 1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5,7-dicarboxylate
Basic Information
CAS
1391732-40-3
Multi CAS
No
Molecular Formula
C13H20N4O4
Molecular Weight
296.320000
Exact Mass
296.148455
SMILES
CC(C)(C)OC(=O)N1CC(C2=C(C1)N=NN2C)C(=O)OC
InChI
InChI=1S/C13H20N4O4/c1-13(2,3)21-12(19)17-6-8(11(18)20-5)10-9(7-17)14-15-16(10)4/h8H,6-7H2,1-5H3
InChIKey
VHWGXLJQQLURGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
72.4
TPSA
86.55
LogP / Solubility
WLOGP
0.82
MLOGP
0.74
Consensus LogP
0.52
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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