CAS RN: 1965330-57-7
9-mesityl-3,6-dimethoxy-10-phenylacridin-10-ium tetrafluoroborate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251012 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS1965330-57-7
- Purity/Analytical Methods: >99.0%
1965330-57-7 / 3,6-dimethoxy-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
Basic Information
CAS
1965330-57-7
Multi CAS
No
Molecular Formula
C30H28BF4NO2
Molecular Weight
521.400000
Exact Mass
521.214922
SMILES
[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC3=[N+](C4=C2C=CC(=C4)OC)C5=CC=CC=C5)OC)C
InChI
InChI=1S/C30H28NO2.BF4/c1-19-15-20(2)29(21(3)16-19)30-25-13-11-23(32-4)17-27(25)31(22-9-7-6-8-10-22)28-18-24(33-5)12-14-26(28)30;2-1(3,4)5/h6-18H,1-5H3;/q+1;-1
InChIKey
LHDIILHNEHWLCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
26
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
145.92
TPSA
22.34
LogP / Solubility
WLOGP
8.18
MLOGP
7.24
XLogP3
8.18
Consensus LogP
7.87
Log S (ESOL)
-8.47
Class (ESOL)
Insoluble
Log S (Ali)
-9.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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