CAS RN: 2294-47-5
1,4-Diazido Benzene
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.20260624 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2294-47-5
- Purity/Analytical Methods: >99.0%
2294-47-5 / [(4-diazonioiminocyclohexa-2,5-dien-1-ylidene)hydrazinylidene]azanide
Basic Information
CAS
2294-47-5
Multi CAS
No
Molecular Formula
C6H4N6
Molecular Weight
160.140000
Exact Mass
160.049744
SMILES
C1=CC(=N[N+]#N)C=CC1=NN=[N-]
InChI
InChI=1S/C6H4N6/c7-11-9-5-1-2-6(4-3-5)10-12-8/h1-4H
InChIKey
QNSQTJHTVQSWFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.02
TPSA
87.53
LogP / Solubility
WLOGP
1.7
MLOGP
1.49
XLogP3
2.6
Consensus LogP
1.93
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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