CAS RN: 1671-86-9
1,2,4,5-Tetrazine,1,4-dihydro-3,6-di-2-pyridinyl-
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.20260602 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1671-86-9
- Purity/Analytical Methods: >99.0%
1671-86-9 / 3,6-dipyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazine
Basic Information
CAS
1671-86-9
Multi CAS
No
Molecular Formula
C12H10N6
Molecular Weight
238.250000
Exact Mass
238.096694
SMILES
C1=CC=NC(=C1)C2=NNC(=NN2)C3=CC=CC=N3
InChI
InChI=1S/C12H10N6/c1-3-7-13-9(5-1)11-15-17-12(18-16-11)10-6-2-4-8-14-10/h1-8H,(H,15,16)(H,17,18)
InChIKey
QGNCLGGVWYZSSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
67.82
TPSA
74.56
LogP / Solubility
WLOGP
0.69
MLOGP
0.61
XLogP3
1.2
Consensus LogP
0.83
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.02
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)
-3.68
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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