CAS RN: 1810004-91-1
9(10H)-Acridinone, 3,6-bis(1,1-dimethylethyl)-
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260525 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250510 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251216 | 1g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20251229 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250328 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1810004-91-1
- Purity/Analytical Methods: >99.0%
1810004-91-1 / 3,6-ditert-butyl-10H-acridin-9-one
Basic Information
CAS
1810004-91-1
Multi CAS
No
Molecular Formula
C21H25NO
Molecular Weight
307.400000
Exact Mass
307.193614
SMILES
CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(N2)C=C(C=C3)C(C)(C)C
InChI
InChI=1S/C21H25NO/c1-20(2,3)13-7-9-15-17(11-13)22-18-12-14(21(4,5)6)8-10-16(18)19(15)23/h7-12H,1-6H3,(H,22,23)
InChIKey
ZBGFUGZKUALIPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
14
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
99.47
TPSA
32.86
LogP / Solubility
WLOGP
5.28
MLOGP
4.66
XLogP3
6.3
Consensus LogP
5.41
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble
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
No
Log Kp (skin permeation)
-0.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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