![CAS 1446410-03-2 Ethyl 2-bromobenzo[d]thiazole-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1446410-03-2.gif)
CAS RN: 1446410-03-2
Ethyl 2-bromobenzo[d]thiazole-5-carboxylate
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.20260116 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1446410-03-2
- Purity/Analytical Methods: >99.0%
1446410-03-2 / ethyl 2-bromo-1,3-benzothiazole-5-carboxylate
Basic Information
CAS
1446410-03-2
Multi CAS
No
Molecular Formula
C10H8BrNO2S
Molecular Weight
286.150000
Exact Mass
284.945910
SMILES
CCOC(=O)C1=CC2=C(C=C1)SC(=N2)Br
InChI
InChI=1S/C10H8BrNO2S/c1-2-14-9(13)6-3-4-8-7(5-6)12-10(11)15-8/h3-5H,2H2,1H3
InChIKey
VZUBOAAVUNRWIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.28
TPSA
39.19
LogP / Solubility
WLOGP
3.24
MLOGP
2.86
XLogP3
3.6
Consensus LogP
3.23
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1446426-30-7 4,4′,4”,4”’-((benzo[c][1,2,5]thiadiazole-4,7-diylbis(4,1-phenylene))bis(azanetriyl))tetrabenzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1446426-30-7(2).gif)
