![CAS 928160-90-1 6-(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)-3-PYRIDINYL BORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/928160-90-1.gif)
CAS RN: 928160-90-1
6-(1,4-DIOXA-8-AZASPIRO[4.5]DEC-8-YL)-3-PYRIDINYL BORONIC ACID
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.20260409 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS928160-90-1
- Purity/Analytical Methods: >99.0%
928160-90-1 / [6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]boronic acid
Basic Information
CAS
928160-90-1
Multi CAS
No
Molecular Formula
BC12H17N2O4
Molecular Weight
264.090000
Exact Mass
264.128137
InChI
InChI=1S/C12H17BN2O4/c16-13(17)10-1-2-11(14-9-10)15-5-3-12(4-6-15)18-7-8-19-12/h1-2,9,16-17H,3-8H2
InChIKey
HZXCCOZZCLLKTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
70.14
TPSA
75.05
LogP / Solubility
WLOGP
-0.9
MLOGP
-0.78
XLogP3
-0.9
Consensus LogP
-0.86
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.87
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)
-4.97
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
2.5
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