CAS RN: 584-12-3
2-Bromofuran (stabilized with CaO)
Product Availability
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2 package records2 with current stock1 grade group
- Product code: ICTB4555
- Purity/Analytical Methods: >98.0%(GC)
584-12-3 / 2-bromofuran
Basic Information
CAS
584-12-3
Multi CAS
Yes
Molecular Formula
C4H3BRO
Molecular Weight
146.970000
Exact Mass
145.936730
InChI
InChI=1S/C4H3BrO/c5-4-2-1-3-6-4/h1-3H
InChIKey
OYMCMWPHMPODNK-UHFFFAOYSA-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
