CAS RN: 31136-79-5
CHEMBRDG-BB 7321001
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.20260121 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS31136-79-5
- Purity/Analytical Methods: >99.0%
31136-79-5 / 5-bromo-N,N-dimethylfuran-2-carboxamide
Basic Information
CAS
31136-79-5
Multi CAS
No
Molecular Formula
BC7H8O2Rn
Molecular Weight
218.050000
Exact Mass
216.973840
InChI
InChI=1S/C7H8BrNO2/c1-9(2)7(10)5-3-4-6(8)11-5/h3-4H,1-2H3
InChIKey
YCJKKQRKIVZSLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.43
TPSA
33.45
LogP / Solubility
WLOGP
1.74
MLOGP
1.54
XLogP3
1.4
Consensus LogP
1.56
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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