![CAS 690632-08-7 6-BroMospiro[chroMan-2,4′-piperidin]-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/690632-08-7.gif)
CAS RN: 690632-08-7
6-BroMospiro[chroMan-2,4′-piperidin]-4-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250328 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS690632-08-7
- Purity/Analytical Methods: >99.0%
690632-08-7 / 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
Basic Information
CAS
690632-08-7
Multi CAS
Yes
Molecular Formula
BC13H14O2Rn
Molecular Weight
296.160000
Exact Mass
295.020790
InChI
InChI=1S/C13H14BrNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2
InChIKey
HTOKNOIQHUEHNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.55
TPSA
38.33
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2
Consensus LogP
2.26
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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