![CAS 1588440-95-2 4,7-DibroMo-2-phenylbenzo[d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62672849.gif)
CAS RN: 1588440-95-2
4,7-DibroMo-2-phenylbenzo[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.20250107 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1588440-95-2
- Purity/Analytical Methods: >99.0%
1588440-95-2 / 4,7-dibromo-2-phenyl-1,3-benzothiazole
Basic Information
CAS
1588440-95-2
Multi CAS
No
Molecular Formula
C13H7Br2NS
Molecular Weight
369.080000
Exact Mass
368.864550
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3S2)Br)Br
InChI
InChI=1S/C13H7Br2NS/c14-9-6-7-10(15)12-11(9)16-13(17-12)8-4-2-1-3-5-8/h1-7H
InChIKey
GRDUECATKOOADC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
80.46
TPSA
12.89
LogP / Solubility
WLOGP
5.49
MLOGP
4.85
XLogP3
5.4
Consensus LogP
5.25
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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