![CAS 883738-14-5 7-CHLORO-5-(METHYLTHIO)-[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE(WX130368) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/883738-14-5.gif)
CAS RN: 883738-14-5
7-CHLORO-5-(METHYLTHIO)-[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE(WX130368)
- Product code: SSC-198981
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 |
883738-14-5 / 7-chloro-5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidine
Basic Information
CAS
883738-14-5
Multi CAS
No
Molecular Formula
C6H5CLN4S
Molecular Weight
200.650000
Exact Mass
199.992345
InChI
InChI=1S/C6H5ClN4S/c1-12-6-10-4(7)2-5-8-3-9-11(5)6/h2-3H,1H3
InChIKey
QPWVSBIHNPUZAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
47.57
TPSA
43.08
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.9
Consensus LogP
1.57
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.88
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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![CAS 883738-16-7 5,7-dichloro-[1,2,4]triazolo[1,5-c]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/883738-16-7.gif)
