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CAS RN: 769-08-4
4-BroMobenzo[d]thiazol-7-aMine
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.20250307 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS769-08-4
- Purity/Analytical Methods: >99.0%
769-08-4 / 4-bromo-1,3-benzothiazol-7-amine
Basic Information
CAS
769-08-4
Multi CAS
No
Molecular Formula
BC7H5Rn2S
Molecular Weight
229.100000
Exact Mass
227.935680
InChI
InChI=1S/C7H5BrN2S/c8-4-1-2-5(9)7-6(4)10-3-11-7/h1-3H,9H2
InChIKey
DPFMZNASRLJKNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.73
TPSA
38.91
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.24
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
