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CAS 416852-82-9 4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER molecular structure lightbox
CAS RN: 416852-82-9

4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-150071
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 25g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 416852-82-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
25g >95% 1 In Stock Beijing Inquiry
10g >95% 0 Out of Stock Shenzhen Inquiry

416852-82-9 / 1-O-tert-butyl 4-O-ethyl 4-fluoropiperidine-1,4-dicarboxylate

Standard CAS: 416852-82-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
416852-82-9
Multi CAS
Yes
Molecular Formula
C13FH22NO4
Molecular Weight
275.320000
Exact Mass
275.153286
InChI
InChI=1S/C13H22FNO4/c1-5-18-10(16)13(14)6-8-15(9-7-13)11(17)19-12(2,3)4/h5-9H2,1-4H3
InChIKey
ABBIQGVRIOLJNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.51
TPSA
55.84

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.1
Consensus LogP
2.14
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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