CAS RN: 1621019-97-3
9-mesityl-2,7,10-trimethylacridin-10-ium tetrafluoroborate
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
- Product code: SSC-069636
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1621019-97-3 / 2,7,10-trimethyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
Basic Information
CAS
1621019-97-3
Multi CAS
No
Molecular Formula
C25H26BF4N
Molecular Weight
427.300000
Exact Mass
427.209443
SMILES
[B-](F)(F)(F)F.CC1=CC2=C(C=C1)[N+](=C3C=CC(=CC3=C2C4=C(C=C(C=C4C)C)C)C)C
InChI
InChI=1S/C25H26N.BF4/c1-15-7-9-22-20(13-15)25(24-18(4)11-17(3)12-19(24)5)21-14-16(2)8-10-23(21)26(22)6;2-1(3,4)5/h7-14H,1-6H3;/q+1;-1
InChIKey
UCBSHEKJRRAYNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
20
Fraction Csp3
0.24
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
121.94
TPSA
3.88
LogP / Solubility
WLOGP
7.33
MLOGP
6.47
XLogP3
7.33
Consensus LogP
7.04
Log S (ESOL)
-7.52
Class (ESOL)
Insoluble
Log S (Ali)
-8.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.64
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
9-mesityl-2,7-dimethyl-10-phenylacridin-10-ium tetrafluoroborate
- CAS RN: 1621020-00-5
- Product Code: SSC-069639
-
S-3,3′-bis[4-(trifluoroMethyl)phenyl]-[1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 1621066-21-4
- Product Code: SSC-069640
-
(S)-2,2′,3,3′-Tetrahydro-6,6′-bis[4-(trifluoromethyl)phenyl]-1,1′-spirobi[1H-indene]-7,7′-diol
- CAS RN: 1621066-71-4
- Product Code: starshine_CAS1621066-71-4
- Purity/Analytical method: >99.0%
-
(S)-6,6′-Dibromo-2,2′,3,3′-tetrahydro-1,1′-spirobi[1H-indene]-7,7′-diol,99%e.e.
- CAS RN: 1621066-74-7
- Product Code: SSC-069641
-
(S)-2,2′,3,3′-Tetrahydro-6,6′-bis(2,4,6-trimethylphenyl)-1,1′-spirobi[1H-indene]-7,7′-diol
- CAS RN: 1621066-75-8
- Product Code: starshine_CAS1621066-75-8
- Purity/Analytical method: >99.0%
-
![CAS 1621066-21-4 S-3,3′-bis[4-(trifluoroMethyl)phenyl]-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32657382.gif)
![CAS 1621066-71-4 (S)-2,2′,3,3′-Tetrahydro-6,6′-bis[4-(trifluoromethyl)phenyl]-1,1′-spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1621066-71-4.gif)
![CAS 1621066-74-7 (S)-6,6′-Dibromo-2,2′,3,3′-tetrahydro-1,1′-spirobi[1H-indene]-7,7′-diol,99%e.e. molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1621066-74-7.gif)
![CAS 1621066-75-8 (S)-2,2′,3,3′-Tetrahydro-6,6′-bis(2,4,6-trimethylphenyl)-1,1′-spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1621066-75-8.gif)
