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CAS 119020-06-3 1-N-CBZ-2-CYANOPYRROLIDINE molecular structure lightbox
CAS RN: 119020-06-3

1-N-CBZ-2-CYANOPYRROLIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260319 1g / 5g / 10g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-019295
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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, 0.25g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 119020-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 3 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
10g ≥95% 1 In Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

119020-06-3 / benzyl 2-cyanopyrrolidine-1-carboxylate

1-Cbz-2-cyanopyrrolidine | benzyl 2-cyanopyrrolidine-1-carboxylate | 1-N-CBZ-2-CYANOPYRROLIDINE

Standard CAS: 119020-06-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119020-06-3
Multi CAS
No
Molecular Formula
C13H14N2O2
Molecular Weight
230.260000
Exact Mass
230.105528
SMILES
C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C#N
InChI
InChI=1S/C13H14N2O2/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2
InChIKey
AUVGQGIWVNDVSL-UHFFFAOYSA-N
Synonyms
1-Cbz-2-cyanopyrrolidine benzyl 2-cyanopyrrolidine-1-carboxylate 1-N-CBZ-2-CYANOPYRROLIDINE 1-Z-2-cyanopyrrolidine 1-Pyrrolidinecarboxylic acid, 2-cyano-, phenylmethyl ester

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.97
TPSA
53.33

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
1.9
Consensus LogP
2.08
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

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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