CAS RN: 1455435-88-7
ffBS-2Br
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.20251110 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1455435-88-7
- Purity/Analytical Methods: >99.0%
1455435-88-7 / 4,7-dibromo-5,6-difluoro-2,1,3-benzoselenadiazole
Basic Information
CAS
1455435-88-7
Multi CAS
No
Molecular Formula
C6Br2F2N2Se
Molecular Weight
376.850000
Exact Mass
377.754100
SMILES
C1(=C(C2=N[Se]N=C2C(=C1F)Br)Br)F
InChI
InChI=1S/C6Br2F2N2Se/c7-1-3(9)4(10)2(8)6-5(1)11-13-12-6
InChIKey
UAEHPCSMHDZSJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
51.79
TPSA
25.78
LogP / Solubility
WLOGP
2.49
MLOGP
2.21
XLogP3
2.49
Consensus LogP
2.4
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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