CAS RN: 54983-19-6
4,4′-(1,2,4,5-Tetrazine-3,6-diyl)dianiline
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250810 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS54983-19-6
- Purity/Analytical Methods: >99.0%
54983-19-6 / 4-[6-(4-aminophenyl)-1,2,4,5-tetrazin-3-yl]aniline
Basic Information
CAS
54983-19-6
Multi CAS
No
Molecular Formula
C14H12N6
Molecular Weight
264.290000
Exact Mass
264.112344
InChI
InChI=1S/C14H12N6/c15-11-5-1-9(2-6-11)13-17-19-14(20-18-13)10-3-7-12(16)8-4-10/h1-8H,15-16H2
InChIKey
NLCIMKXWPQGGNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
77.32
TPSA
103.6
LogP / Solubility
WLOGP
1.76
MLOGP
1.56
XLogP3
0.6
Consensus LogP
1.31
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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