CAS RN: 58293-56-4
9-(2,2-Dicyanovinyl)julolidine
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251029 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTD5971
- Purity/Analytical Methods: >97.0%(HPLC)(qNMR)
58293-56-4 / 2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)propanedinitrile
Basic Information
CAS
58293-56-4
Multi CAS
Yes
Molecular Formula
C16H15N3
Molecular Weight
249.310000
Exact Mass
249.126597
InChI
InChI=1S/C16H15N3/c17-10-13(11-18)7-12-8-14-3-1-5-19-6-2-4-15(9-12)16(14)19/h7-9H,1-6H2
InChIKey
LROAUBRDKLVBCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
74.5
TPSA
50.82
LogP / Solubility
WLOGP
2.82
MLOGP
2.48
XLogP3
2.9
Consensus LogP
2.73
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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