![CAS 1040390-19-9 “2,5‐dibroMothiazolo[5,4‐d]thiazole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1040390-19-9.gif)
CAS RN: 1040390-19-9
“2,5‐dibroMothiazolo[5,4‐d]thiazole”
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260407 | 50mg / 200mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-005815
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1040390-19-9 / 2,5-dibromo-[1,3]thiazolo[5,4-d][1,3]thiazole
2,5-Dibromothiazolo[5,4-d]thiazole | Thiazolo[5,4-d]thiazole, 2,5-dibromo- | 2,5-dibromo-[1,3]thiazolo[5,4-d][1,3]thiazole
Basic Information
CAS
1040390-19-9
Multi CAS
No
Molecular Formula
C4Br2N2S2
Molecular Weight
300.000000
Exact Mass
299.784920
SMILES
C12=C(N=C(S1)Br)SC(=N2)Br
InChI
InChI=1S/C4Br2N2S2/c5-3-7-1-2(10-3)8-4(6)9-1
InChIKey
MSUPZGGVRIRXAI-UHFFFAOYSA-N
Synonyms
2,5-Dibromothiazolo[5,4-d]thiazole
Thiazolo[5,4-d]thiazole, 2,5-dibromo-
2,5-dibromo-[1,3]thiazolo[5,4-d][1,3]thiazole
SCHEMBL15053161
Thiazolo[5,4-d]thiazole,2,5-dibromo-
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
8
H-bond acceptors
4
Molar refractivity
50.69
TPSA
25.78
LogP / Solubility
WLOGP
3.28
MLOGP
2.9
XLogP3
4.1
Consensus LogP
3.43
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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