![CAS 235781-28-9 2-(BROMODIFLUOROMETHYL)BENZO[D]THIAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/235781-28-9.gif)
CAS RN: 235781-28-9
2-(BROMODIFLUOROMETHYL)BENZO[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.20260112 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS235781-28-9
- Purity/Analytical Methods: >99.0%
235781-28-9 / 2-[bromo(difluoro)methyl]-1,3-benzothiazole
Basic Information
CAS
235781-28-9
Multi CAS
No
Molecular Formula
C8H4BrF2NS
Molecular Weight
264.090000
Exact Mass
262.921590
SMILES
C1=CC=C2C(=C1)N=C(S2)C(F)(F)Br
InChI
InChI=1S/C8H4BrF2NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H
InChIKey
QCBOHSNZPINPFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.44
TPSA
12.89
LogP / Solubility
WLOGP
3.74
MLOGP
3.3
XLogP3
3.9
Consensus LogP
3.65
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-1.68
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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- CAS RN: 23580-89-4
- Product Code: starshine_CAS23580-89-4
- Purity/Analytical method: >99.0%
