CAS RN: 2088856-21-5
9-mesityl-10-phenylacridin-10-ium hydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: SSC-098171
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 | Shenzhen | Inquiry |
2088856-21-5 / 10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium chloride
Basic Information
CAS
2088856-21-5
Multi CAS
No
Molecular Formula
C28H24ClN
Molecular Weight
409.900000
Exact Mass
409.159728
SMILES
CC1=CC(=C(C(=C1)C)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C5=CC=CC=C5)C.[Cl-]
InChI
InChI=1S/C28H24N.ClH/c1-19-17-20(2)27(21(3)18-19)28-23-13-7-9-15-25(23)29(22-11-5-4-6-12-22)26-16-10-8-14-24(26)28;/h4-18H,1-3H3;1H/q+1;/p-1
InChIKey
CEPCNMTVPWXTMM-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
26
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
122.63
TPSA
3.88
LogP / Solubility
WLOGP
3.87
MLOGP
3.43
XLogP3
3.87
Consensus LogP
3.72
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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