CAS RN: 2635339-88-5
2,7-Difluoro-9-mesityl-10-methylacridin-10-ium tetrafluoroborate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-123797
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2635339-88-5 / 2,7-difluoro-10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
Basic Information
CAS
2635339-88-5
Multi CAS
No
Molecular Formula
C23H20BF6N
Molecular Weight
435.200000
Exact Mass
435.159299
SMILES
[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)C2=C3C=C(C=CC3=[N+](C4=C2C=C(C=C4)F)C)F)C
InChI
InChI=1S/C23H20F2N.BF4/c1-13-9-14(2)22(15(3)10-13)23-18-11-16(24)5-7-20(18)26(4)21-8-6-17(25)12-19(21)23;2-1(3,4)5/h5-12H,1-4H3;/q+1;-1
InChIKey
KBOHIZGPKZYYDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
20
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
112.38
TPSA
3.88
LogP / Solubility
WLOGP
6.99
MLOGP
6.18
XLogP3
6.99
Consensus LogP
6.72
Log S (ESOL)
-7.35
Class (ESOL)
Insoluble
Log S (Ali)
-8.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
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)
-0.41
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
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