![CAS 1370007-54-7 7-Bromo-4-(Methylthio)Pyrrolo[2,1-F][1,2,4]Triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1370007-54-7.gif)
CAS RN: 1370007-54-7
7-Bromo-4-(Methylthio)Pyrrolo[2,1-F][1,2,4]Triazine
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.20250921 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1370007-54-7
- Purity/Analytical Methods: >99.0%
1370007-54-7 / 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
Basic Information
CAS
1370007-54-7
Multi CAS
No
Molecular Formula
C7H6BrN3S
Molecular Weight
244.110000
Exact Mass
242.946580
SMILES
CSC1=NC=NN2C1=CC=C2Br
InChI
InChI=1S/C7H6BrN3S/c1-12-7-5-2-3-6(8)11(5)10-4-9-7/h2-4H,1H3
InChIKey
FNVWNYDVMCWRQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.47
TPSA
30.19
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.3
Consensus LogP
2.15
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.64
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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