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CAS 228244-04-0 (S)-1-(tert-Butoxycarbonyl)-2-cyanopyrrolidine molecular structure lightbox
CAS RN: 228244-04-0

(S)-1-(tert-Butoxycarbonyl)-2-cyanopyrrolidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 500mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-111088
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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: 10g, 25g, 1g, 5g, 100g
  • Available purity: ≥97%
  • 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 228244-04-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 2 In Stock Shanghai Inquiry
25g ≥97% 2 In Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

228244-04-0 / tert-butyl 2-cyanopyrrolidine-1-carboxylate

Standard CAS: 228244-04-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
228244-04-0
Multi CAS
No
Molecular Formula
C10H16N2O2
Molecular Weight
196.250000
Exact Mass
196.121178
SMILES
CC(C)(C)OC(=O)N1CCCC1C#N
InChI
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-6H2,1-3H3
InChIKey
MDMSZBHMBCNYNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
51.58
TPSA
53.33

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.4
Consensus LogP
1.66
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.56

Drug-likeness / Medicinal Chemistry

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

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