![CAS 2089292-19-1 4,7-Dibromobenzo[d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089292-19-1.png)
CAS RN: 2089292-19-1
4,7-Dibromobenzo[d]thiazole
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.20251115 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2089292-19-1
- Purity/Analytical Methods: >99.0%
2089292-19-1 / 4,7-dibromo-1,3-benzothiazole
Basic Information
CAS
2089292-19-1
Multi CAS
No
Molecular Formula
C7H3Br2NS
Molecular Weight
292.980000
Exact Mass
292.833250
SMILES
C1=CC(=C2C(=C1Br)N=CS2)Br
InChI
InChI=1S/C7H3Br2NS/c8-4-1-2-5(9)7-6(4)10-3-11-7/h1-3H
InChIKey
JHYJLVIHMPWLBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
55.02
TPSA
12.89
LogP / Solubility
WLOGP
3.82
MLOGP
3.37
XLogP3
3.8
Consensus LogP
3.66
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
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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