CAS RN: 1386231-75-9
1386231-75-9
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.20260203 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1386231-75-9
- Purity/Analytical Methods: >99.0%
1386231-75-9 / potassium trifluoro-(2-methylquinolin-8-yl)boranuide
Basic Information
CAS
1386231-75-9
Multi CAS
No
Molecular Formula
C10H8BF3KN
Molecular Weight
249.080000
Exact Mass
249.033895
SMILES
[B-](C1=C2C(=CC=C1)C=CC(=N2)C)(F)(F)F.[K+]
InChI
InChI=1S/C10H8BF3N.K/c1-7-5-6-8-3-2-4-9(10(8)15-7)11(12,13)14;/h2-6H,1H3;/q-1;+1
InChIKey
ORBDDYUKCMRHCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.19
TPSA
12.89
LogP / Solubility
WLOGP
-0.4
MLOGP
-0.34
XLogP3
-0.4
Consensus LogP
-0.38
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
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)
-4.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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