CAS RN: 40753-13-7
4-(4-BROMOPHENYL)-1,2,3-THIADIAZOLE
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.20250826 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS40753-13-7
- Purity/Analytical Methods: >99.0%
40753-13-7 / 4-(4-bromophenyl)thiadiazole
Basic Information
CAS
40753-13-7
Multi CAS
Yes
Molecular Formula
BC8H5Rn2S
Molecular Weight
241.110000
Exact Mass
239.935680
InChI
InChI=1S/C8H5BrN2S/c9-7-3-1-6(2-4-7)8-5-12-11-10-8/h1-5H
InChIKey
HGWOTVRPRHVJQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.05
TPSA
25.78
LogP / Solubility
WLOGP
2.97
MLOGP
2.62
XLogP3
3.1
Consensus LogP
2.9
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.08
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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