CAS RN: 99372-96-0
4,4′-(anthracene-9,10-diyl)dibenzonitrile
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.20260218 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS99372-96-0
- Purity/Analytical Methods: >99.0%
99372-96-0 / 4-[10-(4-cyanophenyl)anthracen-9-yl]benzonitrile
Basic Information
CAS
99372-96-0
Multi CAS
No
Molecular Formula
C28H16N2
Molecular Weight
380.400000
Exact Mass
380.131349
InChI
InChI=1S/C28H16N2/c29-17-19-9-13-21(14-10-19)27-23-5-1-2-6-24(23)28(26-8-4-3-7-25(26)27)22-15-11-20(18-30)12-16-22/h1-16H
InChIKey
DSPGMQPXTWKKKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
26
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
121.76
TPSA
47.58
LogP / Solubility
WLOGP
7.07
MLOGP
6.24
XLogP3
7.1
Consensus LogP
6.8
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-7.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.24
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
5-Hydroxy-2,3-dihydrobenzofuran-6-carbaldehyde
- CAS RN: 99385-88-3
- Product Code: SSC-213136
-
1-Propanol, 2,3-bis(dodecyloxy)-, 1-(hydrogen sulfate)
- CAS RN: 99387-94-7
- Product Code: SSC-213137
-
Benzenethiol, 3,5-difluoro- (9CI)
- CAS RN: 99389-26-1
- Product Code: starshine_CAS99389-26-1
- Purity/Analytical method: >99.0%
-
Ethyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-b-D-thioglucopyranoside
- CAS RN: 99409-32-2
- Product Code: SSC-213144
-
ETHYL 2,3,4-TRI-O-BENZYL-1-THIO-BETA-L-FUCOPYRANOSIDE
- CAS RN: 99409-34-4
- Product Code: SSC-213145
-
![CAS 99418-15-2 2-OXABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/99418-15-2.gif)