![CAS 1137278-39-7 5,7-dichlorothiazolo[4,5-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1137278-39-7.gif)
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1137278-39-7 / 5,7-dichloro-[1,3]thiazolo[4,5-d]pyrimidine
5,7-Dichlorothiazolo[4,5-d]pyrimidine | 5,7-dichloro-[1,3]thiazolo[4,5-d]pyrimidine | MFCD16658954
Basic Information
CAS
1137278-39-7
Multi CAS
No
Molecular Formula
C5HCl2N3S
Molecular Weight
206.050000
Exact Mass
204.926824
SMILES
C1=NC2=C(S1)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C5HCl2N3S/c6-3-2-4(8-1-11-2)10-5(7)9-3/h1H
InChIKey
ZWONAZRQCSMTFK-UHFFFAOYSA-N
Synonyms
5,7-Dichlorothiazolo[4,5-d]pyrimidine
5,7-dichloro-[1,3]thiazolo[4,5-d]pyrimidine
MFCD16658954
Thiazolo[4,5-d]pyrimidine, 5,7-dichloro-
5,7-Dichloro[1,3]thiazolo[4,5-d]pyrimidine
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
Molar refractivity
45.23
TPSA
38.67
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.9
Consensus LogP
2.47
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-2.28
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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