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CAS 115551-46-7 3-N-CBZ-AMINOPYRROLIDINE molecular structure lightbox
CAS RN: 115551-46-7

3-N-CBZ-AMINOPYRROLIDINE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251005 1g In stock Shenzhen Inquiry
Batchno.20250406 250mg In stock Shanghai Inquiry
Batchno.20250921 5g Out of stock Inquiry
  • Product code: SSC-015315
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115551-46-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

115551-46-7 / benzyl N-pyrrolidin-3-ylcarbamate

3-N-Cbz-aminopyrrolidine | 3-cbz-aminopyrrolidine | benzyl pyrrolidin-3-ylcarbamate

Standard CAS: 115551-46-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115551-46-7
Multi CAS
Yes
Molecular Formula
C12H16N2O2
Molecular Weight
220.270000
Exact Mass
220.121178
SMILES
C1CNCC1NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H16N2O2/c15-12(14-11-6-7-13-8-11)16-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)
InChIKey
DSOICHFMGRBFCM-UHFFFAOYSA-N
Synonyms
3-N-Cbz-aminopyrrolidine 3-cbz-aminopyrrolidine benzyl pyrrolidin-3-ylcarbamate Benzyl N-pyrrolidin-3-ylcarbamate pyrrolidin-3-yl-carbamic acid benzyl ester

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.04
TPSA
50.36

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.2
Consensus LogP
1.2
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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