CAS RN: 898748-05-5
4,7-DIBROMO-2(3H)-BENZOTHIAZOLONEHYDRAZONE
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.20250223 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS898748-05-5
- Purity/Analytical Methods: >99.0%
898748-05-5 / (4,7-dibromo-1,3-benzothiazol-2-yl)hydrazine
Basic Information
CAS
898748-05-5
Multi CAS
No
Molecular Formula
C7H5BR2N3S
Molecular Weight
323.010000
Exact Mass
322.855040
InChI
InChI=1S/C7H5Br2N3S/c8-3-1-2-4(9)6-5(3)11-7(12-10)13-6/h1-2H,10H2,(H,11,12)
InChIKey
JKMWDHCIORLGAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.83
TPSA
50.94
LogP / Solubility
WLOGP
3.11
MLOGP
2.75
XLogP3
3.3
Consensus LogP
3.05
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
- CAS RN: 898755-69-6
- Product Code: starshine_CAS898755-69-6
- Purity/Analytical method: >99.0%
![CAS 898755-69-6 2-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898755-69-6.gif)