CAS RN: 505097-65-4
4-BROMO-PYRAN-2-ONE
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.20250726 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS505097-65-4
- Purity/Analytical Methods: >99.0%
505097-65-4 / 4-bromopyran-2-one
Basic Information
CAS
505097-65-4
Multi CAS
No
Molecular Formula
C5H3BRO2
Molecular Weight
174.980000
Exact Mass
173.931640
InChI
InChI=1S/C5H3BrO2/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKey
KHEABNLTWKPDEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
32.68
TPSA
30.21
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
1.2
Consensus LogP
1.28
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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