CAS RN: 2961-76-4
2-anthracen-9-ylacetonitrile
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250626 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2961-76-4
- Purity/Analytical Methods: >99.0%
2961-76-4 / 2-anthracen-9-ylacetonitrile
Basic Information
CAS
2961-76-4
Multi CAS
No
Molecular Formula
C16H11N
Molecular Weight
217.260000
Exact Mass
217.089149
InChI
InChI=1S/C16H11N/c17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,11H,9H2
InChIKey
MUTCNFLGBMSLTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
14
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
70.77
TPSA
23.79
LogP / Solubility
WLOGP
4.06
MLOGP
3.57
XLogP3
4.4
Consensus LogP
4.01
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
13(S)-HYDROXYOCTADECA-9Z,11E-DIENOIC ACID
- CAS RN: 29623-28-7
- Product Code: starshine_CAS29623-28-7
- Purity/Analytical method: >99.0%
-
-
1,2-BENZISOTHIAZOL-3(2H)-ONE, 5-BROMO, 1,1-DIOXIDE
- CAS RN: 29632-82-4
- Product Code: SSC-132658
-
-
(S)-5-(1-methylethyl)-3-phenyl-2-thioxoimidazolidin-4-one
- CAS RN: 29635-81-2
- Product Code: SSC-132659
