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CAS RN: 1353978-39-8
4-(2-Chloro-pyridine-3-carbonyl)-2-Methyl-piperazine-1-carboxylic acid tert-butyl ester
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.20250204 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-043694
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1353978-39-8 / tert-butyl 4-(2-chloropyridine-3-carbonyl)-2-methylpiperazine-1-carboxylate
Basic Information
CAS
1353978-39-8
Multi CAS
No
Molecular Formula
C16H22ClN3O3
Molecular Weight
339.820000
Exact Mass
339.134969
SMILES
CC1CN(CCN1C(=O)OC(C)(C)C)C(=O)C2=C(N=CC=C2)Cl
InChI
InChI=1S/C16H22ClN3O3/c1-11-10-19(14(21)12-6-5-7-18-13(12)17)8-9-20(11)15(22)23-16(2,3)4/h5-7,11H,8-10H2,1-4H3
InChIKey
GUIMMESRUZOODK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
87.55
TPSA
62.74
LogP / Solubility
WLOGP
2.82
MLOGP
2.5
XLogP3
2.4
Consensus LogP
2.57
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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