![CAS 1254710-16-1 8-BROMO-7-CHLORO-2-PHENYL-[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1254710-16-1.gif)
CAS RN: 1254710-16-1
8-BROMO-7-CHLORO-2-PHENYL-[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250510 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1254710-16-1
- Purity/Analytical Methods: >99.0%
1254710-16-1 / 8-bromo-7-chloro-2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine
Basic Information
CAS
1254710-16-1
Multi CAS
No
Molecular Formula
C11H6BrClN4
Molecular Weight
309.550000
Exact Mass
307.946440
SMILES
C1=CC=C(C=C1)C2=NN3C=NC(=C(C3=N2)Br)Cl
InChI
InChI=1S/C11H6BrClN4/c12-8-9(13)14-6-17-11(8)15-10(16-17)7-4-2-1-3-5-7/h1-6H
InChIKey
YIHLYKHEEQDQCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
68.93
TPSA
43.08
LogP / Solubility
WLOGP
3.21
MLOGP
2.84
XLogP3
3.4
Consensus LogP
3.15
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
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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