CAS RN: 1257413-12-9
2,7-di-tert-butyl-9,9-dimethyl-9,10-dihydroacridine
- Product code: SSC-031002
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1257413-12-9 / 2,7-ditert-butyl-9,9-dimethyl-10H-acridine
Basic Information
CAS
1257413-12-9
Multi CAS
No
Molecular Formula
C23H31N
Molecular Weight
321.500000
Exact Mass
321.245650
SMILES
CC1(C2=C(C=CC(=C2)C(C)(C)C)NC3=C1C=C(C=C3)C(C)(C)C)C
InChI
InChI=1S/C23H31N/c1-21(2,3)15-9-11-19-17(13-15)23(7,8)18-14-16(22(4,5)6)10-12-20(18)24-19/h9-14,24H,1-8H3
InChIKey
HBSAXNFOMGOADF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
105.69
TPSA
12.03
LogP / Solubility
WLOGP
6.66
MLOGP
5.88
XLogP3
7.7
Consensus LogP
6.75
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
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
No
Log Kp (skin permeation)
0.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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