![CAS 1647121-47-8 10-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-phenoxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1647121-47-8.gif)
CAS RN: 1647121-47-8
10-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-phenoxazine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250623 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1647121-47-8
- Purity/Analytical Methods: >99.0%
1647121-47-8 / 10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoxazine
Basic Information
CAS
1647121-47-8
Multi CAS
No
Molecular Formula
C24H24BNO3
Molecular Weight
385.300000
Exact Mass
385.184924
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3C4=CC=CC=C4OC5=CC=CC=C53
InChI
InChI=1S/C24H24BNO3/c1-23(2)24(3,4)29-25(28-23)17-13-15-18(16-14-17)26-19-9-5-7-11-21(19)27-22-12-8-6-10-20(22)26/h5-16H,1-4H3
InChIKey
ARJIQEFRIQJOQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
116.92
TPSA
30.93
LogP / Solubility
WLOGP
5.56
MLOGP
4.92
XLogP3
5.56
Consensus LogP
5.35
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.02
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.12
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
3.5
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