![CAS 5082-82-6 thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5082-82-6.gif)
CAS RN: 5082-82-6
thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-157560
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
5082-82-6 / 4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
Basic Information
CAS
5082-82-6
Multi CAS
Yes
Molecular Formula
C5H3N3O2S
Molecular Weight
169.160000
Exact Mass
168.994598
InChI
InChI=1S/C5H3N3O2S/c9-3-2-4(11-1-6-2)8-5(10)7-3/h1H,(H2,7,8,9,10)
InChIKey
XYKSLGUQLMACHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.86
TPSA
78.61
LogP / Solubility
WLOGP
-0.33
MLOGP
-0.29
XLogP3
0.1
Consensus LogP
-0.17
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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