![CAS 2055839-71-7 1,4-Piperidinedicarboxylic acid, 4-fluoro-, 1-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]methyl] 4-methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055839-71-7.png)
CAS RN: 2055839-71-7
1,4-Piperidinedicarboxylic acid, 4-fluoro-, 1-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]methyl] 4-methyl 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.20250522 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-096775
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 | Shanghai | Inquiry |
2055839-71-7 / 4-O-methyl 1-O-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl] 4-fluoropiperidine-1,4-dicarboxylate
Basic Information
CAS
2055839-71-7
Multi CAS
No
Molecular Formula
C19H31FN2O6
Molecular Weight
402.500000
Exact Mass
402.216615
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)COC(=O)N2CCC(CC2)(C(=O)OC)F
InChI
InChI=1S/C19H31FN2O6/c1-18(2,3)28-17(25)21-9-5-14(6-10-21)13-27-16(24)22-11-7-19(20,8-12-22)15(23)26-4/h14H,5-13H2,1-4H3
InChIKey
QWHLQWZETGNVET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.84
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
98.54
TPSA
85.38
LogP / Solubility
WLOGP
2.75
MLOGP
2.44
XLogP3
2.4
Consensus LogP
2.53
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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
Yes
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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