![CAS 1250444-41-7 6-bromo-2-methyl[1,2,4]triazolo[1,5-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250444-41-7.gif)
CAS RN: 1250444-41-7
6-bromo-2-methyl[1,2,4]triazolo[1,5-a]pyrimidine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS1250444-41-7
- Purity/Analytical Methods: >99.0%
1250444-41-7 / 6-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
Basic Information
CAS
1250444-41-7
Multi CAS
No
Molecular Formula
C6H5BrN4
Molecular Weight
213.030000
Exact Mass
211.969760
SMILES
CC1=NN2C=C(C=NC2=N1)Br
InChI
InChI=1S/C6H5BrN4/c1-4-9-6-8-2-5(7)3-11(6)10-4/h2-3H,1H3
InChIKey
BMFLPKDEGSSKHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
43.22
TPSA
43.08
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
1-(3,5-difluorophenyl)cyclopropanecarboxylic acid
- CAS RN: 1250510-22-5
- Product Code: SSC-029526
-
4-(2-Chloro-phenyl)-tetrahydro-pyran-4-carbonitrile
- CAS RN: 1250512-48-1
- Product Code: starshine_CAS1250512-48-1
- Purity/Analytical method: >99.0%
-
-
1-(2-Fluorophenyl)-1H-imidazole-4-carboxylic acid
- CAS RN: 1250543-88-4
- Product Code: SSC-029537
-
