CAS RN: 70015-83-7
2,1,3-BENZOXADIAZOLE-4,5-DIAMINE
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.20250825 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS70015-83-7
- Purity/Analytical Methods: >99.0%
70015-83-7 / 2,1,3-benzoxadiazole-4,5-diamine
Basic Information
CAS
70015-83-7
Multi CAS
Yes
Molecular Formula
C6H6N4O
Molecular Weight
150.140000
Exact Mass
150.054161
InChI
InChI=1S/C6H6N4O/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,7-8H2
InChIKey
SHWDQDBUVFATHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
40.63
TPSA
90.96
LogP / Solubility
WLOGP
0.39
MLOGP
0.33
XLogP3
-0.2
Consensus LogP
0.17
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very 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)
-3.36
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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