CAS RN: 502639-02-3
4,5-Dibromo-N-methoxy-N-methyl-2-furancarboxamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251005 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: ICTD2973
- Purity/Analytical Methods: >96.0%(GC)(T)
502639-02-3 / 4,5-dibromo-N-methoxy-N-methylfuran-2-carboxamide
Basic Information
CAS
502639-02-3
Multi CAS
Yes
Molecular Formula
C7H7BR2NO3
Molecular Weight
312.940000
Exact Mass
312.877220
InChI
InChI=1S/C7H7Br2NO3/c1-10(12-2)7(11)5-3-4(8)6(9)13-5/h3H,1-2H3
InChIKey
NHVQYVKJJONFAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.21
TPSA
42.68
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
2.5
Consensus LogP
2.37
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
