CAS RN: 216318-95-5
5,5′-dibromo-2,2′-bithiazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260110 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS216318-95-5
- Purity/Analytical Methods: >99.0%
216318-95-5 / 5-bromo-2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole
Basic Information
CAS
216318-95-5
Multi CAS
No
Molecular Formula
C6H2Br2N2S2
Molecular Weight
326.000000
Exact Mass
325.800570
SMILES
C1=C(SC(=N1)C2=NC=C(S2)Br)Br
InChI
InChI=1S/C6H2Br2N2S2/c7-3-1-9-5(11-3)6-10-2-4(8)12-6/h1-2H
InChIKey
CBESSEJGYHLVPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.62
TPSA
25.78
LogP / Solubility
WLOGP
3.79
MLOGP
3.35
XLogP3
3.7
Consensus LogP
3.61
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
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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