![CAS 1405128-33-7 Carbamic acid, N-[(3S,5R)-5-methyl-1-(3-nitro-4-pyridinyl)-3-piperidinyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1405128-33-7.gif)
CAS RN: 1405128-33-7
Carbamic acid, N-[(3S,5R)-5-methyl-1-(3-nitro-4-pyridinyl)-3-piperidinyl]-, 1,1-dimethylethyl 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.20260501 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-051129
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 | Beijing | Inquiry |
1405128-33-7 / tert-butyl N-[(3S,5R)-5-methyl-1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamate
Basic Information
CAS
1405128-33-7
Multi CAS
No
Molecular Formula
C16H24N4O4
Molecular Weight
336.390000
Exact Mass
336.179755
SMILES
C[C@@H]1C[C@@H](CN(C1)C2=C(C=NC=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H24N4O4/c1-11-7-12(18-15(21)24-16(2,3)4)10-19(9-11)13-5-6-17-8-14(13)20(22)23/h5-6,8,11-12H,7,9-10H2,1-4H3,(H,18,21)/t11-,12+/m1/s1
InChIKey
RZYYTLKFSSYXMI-NEPJUHHUSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
90.04
TPSA
97.6
LogP / Solubility
WLOGP
2.73
MLOGP
2.42
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly 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)
-2.83
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
3.5
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![CAS 1405128-48-4 tert-butyl N-[5-(trifluoromethyl)piperidin-3-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1405128-48-4.gif)
![CAS 1407166-62-4 3-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-[[(8α,9S)-10,11-dihydrocinchonan9-yl]amino]-3-Cyclobutene-1,2-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1407166-62-4.gif)