CAS RN: 380537-35-9
SI-2
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251015 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS380537-35-9
- Purity/Analytical Methods: >99.0%
380537-35-9 / 1-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine
Basic Information
CAS
380537-35-9
Multi CAS
Yes
Molecular Formula
C15H15N5
Molecular Weight
265.310000
Exact Mass
265.132746
InChI
InChI=1S/C15H15N5/c1-11(12-7-5-6-10-16-12)18-19-15-17-13-8-3-4-9-14(13)20(15)2/h3-10H,1-2H3,(H,17,19)/b18-11+
InChIKey
JNNXERNBPXXNLK-WOJGMQOQSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.78
TPSA
55.1
LogP / Solubility
WLOGP
2.8
MLOGP
2.48
XLogP3
2.9
Consensus LogP
2.73
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
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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