![CAS 87789-35-3 5,7-Dichloro-2-(methylthio)thiazolo[4,5-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/87789-35-3.gif)
CAS RN: 87789-35-3
5,7-Dichloro-2-(methylthio)thiazolo[4,5-d]pyrimidine
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.20260323 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-198080
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 | Beijing | Inquiry |
87789-35-3 / 5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
Basic Information
CAS
87789-35-3
Multi CAS
No
Molecular Formula
C6H3CL2N3S2
Molecular Weight
252.100000
Exact Mass
250.914545
InChI
InChI=1S/C6H3Cl2N3S2/c1-12-6-11-4-2(13-6)3(7)9-5(8)10-4/h1H3
InChIKey
LGWQAKNSIYXJPN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
57.01
TPSA
38.67
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3.8
Consensus LogP
3.22
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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