CAS RN: 2143077-62-5
2143077-62-5
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.20251202 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2143077-62-5
- Purity/Analytical Methods: >99.0%
2143077-62-5 / potassium trifluoro(phenanthren-9-yl)boranuide
Basic Information
CAS
2143077-62-5
Multi CAS
No
Molecular Formula
C14H9BF3K
Molecular Weight
284.130000
Exact Mass
284.038646
SMILES
[B-](C1=CC2=CC=CC=C2C3=CC=CC=C13)(F)(F)F.[K+]
InChI
InChI=1S/C14H9BF3.K/c16-15(17,18)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;/h1-9H;/q-1;+1
InChIKey
UIXZVYUWQLDNOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
70.17
TPSA
0.0000
LogP / Solubility
WLOGP
1.05
MLOGP
0.94
XLogP3
1.05
Consensus LogP
1.01
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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