![CAS 426829-52-9 6′-CHLORO-2,3,5,6-TETRAHYDRO-[1,2′]BIPYRAZINYL-4-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/426829-52-9.gif)
CAS RN: 426829-52-9
6′-CHLORO-2,3,5,6-TETRAHYDRO-[1,2′]BIPYRAZINYL-4-CARBOXYLIC ACID TERT-BUTYL ESTER
- Product code: SSC-150965
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
426829-52-9 / tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate
Basic Information
CAS
426829-52-9
Multi CAS
No
Molecular Formula
C13H19CLN4O2
Molecular Weight
298.770000
Exact Mass
298.119654
InChI
InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-9-15-8-10(14)16-11/h8-9H,4-7H2,1-3H3
InChIKey
XTDKNKUNEVLULA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
77.06
TPSA
58.56
LogP / Solubility
WLOGP
2.19
MLOGP
1.94
XLogP3
1.9
Consensus LogP
2.01
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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