CAS RN: 6134-61-8
5-bromo-2-furamide
Product Availability
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3 package records3 with current stock2 grade groups
- Product code: starshine_CAS6134-61-8
- Purity/Analytical Methods: >99.0%
6134-61-8 / 5-bromofuran-2-carboxamide
Basic Information
CAS
6134-61-8
Multi CAS
Yes
Molecular Formula
BC5H4O2Rn
Molecular Weight
189.990000
Exact Mass
188.942540
InChI
InChI=1S/C5H4BrNO2/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8)
InChIKey
VFDAOWISEQYGIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.93
TPSA
56.23
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
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)
-3.07
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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