![CAS 1580472-97-4 Borate(1-), 1,4-dioxaspiro[4.5]dec-7-en-8-yltrifluoro-, potassium (1:1), (T-4)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1580472-97-4.gif)
CAS RN: 1580472-97-4
Borate(1-), 1,4-dioxaspiro[4.5]dec-7-en-8-yltrifluoro-, potassium (1:1), (T-4)-
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.20250310 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1580472-97-4
- Purity/Analytical Methods: >99.0%
1580472-97-4 / potassium 1,4-dioxaspiro[4.5]dec-7-en-8-yl(trifluoro)boranuide
Basic Information
CAS
1580472-97-4
Multi CAS
No
Molecular Formula
C8H11BF3KO2
Molecular Weight
246.080000
Exact Mass
246.044126
SMILES
[B-](C1=CCC2(CC1)OCCO2)(F)(F)F.[K+]
InChI
InChI=1S/C8H11BF3O2.K/c10-9(11,12)7-1-3-8(4-2-7)13-5-6-14-8;/h1H,2-6H2;/q-1;+1
InChIKey
QZWUQHLPWVRHTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.65
TPSA
18.46
LogP / Solubility
WLOGP
-0.77
MLOGP
-0.67
XLogP3
-0.77
Consensus LogP
-0.74
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.77
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
2.5
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