![CAS 253-73-6 3,4,10-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/253-73-6.gif)
CAS RN: 253-73-6
3,4,10-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene
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.20250620 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS253-73-6
- Purity/Analytical Methods: >99.0%
253-73-6 / pyrido[2,3-d]pyridazine
Basic Information
CAS
253-73-6
Multi CAS
No
Molecular Formula
C7H5N3
Molecular Weight
131.130000
Exact Mass
131.048347
SMILES
C1=CC2=CN=NC=C2N=C1
InChI
InChI=1S/C7H5N3/c1-2-6-4-9-10-5-7(6)8-3-1/h1-5H
InChIKey
GIVUQTUKKWDKHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
37.33
TPSA
38.67
LogP / Solubility
WLOGP
1.02
MLOGP
0.89
XLogP3
0.1
Consensus LogP
0.67
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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