CAS RN: 479685-13-7
1-Boc-4-(3-amino-6-bromopyrazin-2-yl)piperazine
- Product code: SSC-154945
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
479685-13-7 / tert-butyl 4-(3-amino-6-bromopyrazin-2-yl)piperazine-1-carboxylate
Basic Information
CAS
479685-13-7
Multi CAS
No
Molecular Formula
BC13H20O2Rn5
Molecular Weight
358.230000
Exact Mass
357.080040
InChI
InChI=1S/C13H20BrN5O2/c1-13(2,3)21-12(20)19-6-4-18(5-7-19)11-10(15)16-8-9(14)17-11/h8H,4-7H2,1-3H3,(H2,15,16)
InChIKey
LJDVAJMXKQFLJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
84.16
TPSA
84.58
LogP / Solubility
WLOGP
1.88
MLOGP
1.67
XLogP3
1.6
Consensus LogP
1.72
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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