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CAS 91419-53-3 1-tert-Butoxycarbonyl-3-cyanopiperidine molecular structure lightbox
CAS RN: 91419-53-3

1-tert-Butoxycarbonyl-3-cyanopiperidine

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250612 10g Out of stock Inquiry
Batchno.20250329 1g In stock Inquiry
Batchno.20250314 5g In stock Inquiry
  • Product code: SSC-204463
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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, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 91419-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shenzhen Inquiry
5g ≥98% 4 In Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

91419-53-3 / tert-butyl 3-cyanopiperidine-1-carboxylate

Standard CAS: 91419-53-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91419-53-3
Multi CAS
Yes
Molecular Formula
C11H18N2O2
Molecular Weight
210.270000
Exact Mass
210.136828
InChI
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-6,8H2,1-3H3
InChIKey
UEFZTXGFHKPSFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.14
TPSA
53.33

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.3
Consensus LogP
1.79
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.47

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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