CAS RN: 135948-75-3
4-CHLORO-6-(1H-1,2,4-TRIAZOL-1-YL)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.20250116 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS135948-75-3
- Purity/Analytical Methods: >99.0%
135948-75-3 / 4-chloro-6-(1,2,4-triazol-1-yl)pyrimidine
Basic Information
CAS
135948-75-3
Multi CAS
No
Molecular Formula
C6H4ClN5
Molecular Weight
181.580000
Exact Mass
181.015523
SMILES
C1=C(N=CN=C1Cl)N2C=NC=N2
InChI
InChI=1S/C6H4ClN5/c7-5-1-6(10-3-9-5)12-4-8-2-11-12/h1-4H
InChIKey
CNKRSOSVASHQSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
41.96
TPSA
56.49
LogP / Solubility
WLOGP
0.71
MLOGP
0.62
XLogP3
1.2
Consensus LogP
0.84
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
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)
-3.32
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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