CAS RN: 890042-15-6
9-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ACRIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251121 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS890042-15-6
- Purity/Analytical Methods: >99.0%
890042-15-6 / 9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
Basic Information
CAS
890042-15-6
Multi CAS
No
Molecular Formula
BC19H20NO2
Molecular Weight
305.200000
Exact Mass
305.158709
InChI
InChI=1S/C19H20BNO2/c1-18(2)19(3,4)23-20(22-18)17-13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)17/h5-12H,1-4H3
InChIKey
GYDHHBJXXRKLMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
14
Fraction Csp3
0.32
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
94.97
TPSA
31.35
LogP / Solubility
WLOGP
3.69
MLOGP
3.26
XLogP3
3.69
Consensus LogP
3.55
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
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
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