CAS RN: 40723-91-9
2,3-Anthracenedicarbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260504 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS40723-91-9
- Purity/Analytical Methods: >99.0%
40723-91-9 / anthracene-2,3-dicarbonitrile
Basic Information
CAS
40723-91-9
Multi CAS
No
Molecular Formula
C16H8N2
Molecular Weight
228.250000
Exact Mass
228.068748
InChI
InChI=1S/C16H8N2/c17-9-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)10-18/h1-8H
InChIKey
ZDOLIEFMOFUAHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
H-bond acceptors
2
Molar refractivity
70.88
TPSA
47.58
LogP / Solubility
WLOGP
3.74
MLOGP
3.29
XLogP3
3.9
Consensus LogP
3.64
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.24
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)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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