![CAS 51325-95-2 4-(Dicyanomethylene)-2-methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)vinyl]-4H-pyran molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4459-jpgcontextbwfzdgvyfhjvb3r8mza2nth8aw1hz2uvanblz3xonzavadjklzg5mzayoteymja1mtavrdq0ntkuanbnfgjmn2m1ndc3mmixzdvhnwi4mwi5ntnmmwe1yzc5mmqxyjcwmwu1ztqxzdu0ytlhzdcyztzimdjlmzu1zwi5zja.jpeg)
CAS RN: 51325-95-2
4-(Dicyanomethylene)-2-methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)vinyl]-4H-pyran
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.20260312 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTD4459
- Purity/Analytical Methods: >97.0%(HPLC)(N)
51325-95-2 / 2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]propanedinitrile
Basic Information
CAS
51325-95-2
Multi CAS
Yes
Molecular Formula
C23H21N3O
Molecular Weight
355.400000
Exact Mass
355.168462
InChI
InChI=1S/C23H21N3O/c1-16-10-20(21(14-24)15-25)13-22(27-16)7-6-17-11-18-4-2-8-26-9-3-5-19(12-17)23(18)26/h6-7,10-13H,2-5,8-9H2,1H3/b7-6+
InChIKey
ZNJRONVKWRHYBF-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
105.51
TPSA
60.05
LogP / Solubility
WLOGP
4.56
MLOGP
4.03
XLogP3
4.2
Consensus LogP
4.26
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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