CAS RN: 960008-38-2
5-bromo-2-chloro-N-cyclopropylpyrimidin-4-amine
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.20260303 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS960008-38-2
- Purity/Analytical Methods: >99.0%
960008-38-2 / 5-bromo-2-chloro-N-cyclopropylpyrimidin-4-amine
Basic Information
CAS
960008-38-2
Multi CAS
No
Molecular Formula
C7H7BRCLN3
Molecular Weight
248.510000
Exact Mass
246.951190
InChI
InChI=1S/C7H7BrClN3/c8-5-3-10-7(9)12-6(5)11-4-1-2-4/h3-4H,1-2H2,(H,10,11,12)
InChIKey
IFOGHSMNFWOYMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.39
TPSA
37.81
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.7
Consensus LogP
2.45
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-2.48
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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