CAS RN: 53599-35-2
2-Brom-5-deuteriumfuran
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.20260405 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889720
53599-35-2 / 2-bromo-5-deuteriofuran
Basic Information
CAS
53599-35-2
Multi CAS
No
Molecular Formula
C4H3BRO
Molecular Weight
147.980000
Exact Mass
146.943000
InChI
InChI=1S/C4H3BrO/c5-4-2-1-3-6-4/h1-3H/i3D
InChIKey
OYMCMWPHMPODNK-WFVSFCRTSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
1
Molar refractivity
26.41
TPSA
13.14
LogP / Solubility
WLOGP
2.04
MLOGP
1.79
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately 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)
-2.17
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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