CAS RN: 1433849-58-1
tert-butyl(S)-4-(6-aminopyridin-3-yl)-3-methylpiperazine-1-carboxylate
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.20260419 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-054762
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1433849-58-1 / tert-butyl (3S)-4-(6-amino-3-pyridinyl)-3-methylpiperazine-1-carboxylate
Basic Information
CAS
1433849-58-1
Multi CAS
No
Molecular Formula
C15H24N4O2
Molecular Weight
292.380000
Exact Mass
292.189926
SMILES
C[C@H]1CN(CCN1C2=CN=C(C=C2)N)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H24N4O2/c1-11-10-18(14(20)21-15(2,3)4)7-8-19(11)12-5-6-13(16)17-9-12/h5-6,9,11H,7-8,10H2,1-4H3,(H2,16,17)/t11-/m0/s1
InChIKey
BUAAKCSOXMISPQ-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.26
TPSA
71.69
LogP / Solubility
WLOGP
2.11
MLOGP
1.87
XLogP3
1.7
Consensus LogP
1.89
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 1433854-85-3 tert-butyl (3S)-4-{6-[(5-chloro-2-methoxypyridin-3-yl)amino]pyridin-3-yl}-3-methylpiperazine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1433854-85-3.gif)
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