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CAS 2218467-83-3 (S)-1-(tert-butoxycarbonyl)-3-fluoropiperidine-3-carboxylic acid molecular structure lightbox
CAS RN: 2218467-83-3

(S)-1-(tert-butoxycarbonyl)-3-fluoropiperidine-3-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: SSC-106698
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 2218467-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

2218467-83-3 / (3S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Standard CAS: 2218467-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2218467-83-3
Multi CAS
No
Molecular Formula
C11H18FNO4
Molecular Weight
247.260000
Exact Mass
247.121986
SMILES
CC(C)(C)OC(=O)N1CCC[C@](C1)(C(=O)O)F
InChI
InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-6-4-5-11(12,7-13)8(14)15/h4-7H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKey
BUOPUFGUVSXFRG-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.52
TPSA
66.84

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1.4
Consensus LogP
1.6
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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