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CAS 1159822-27-1 1-Cbz-3-aminopyrrolidine hydrochloride molecular structure lightbox
CAS RN: 1159822-27-1

1-Cbz-3-aminopyrrolidine hydrochloride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250616 1g In stock Wuhan, Chengdu Inquiry
Batchno.20251216 250mg In stock Shenzhen Inquiry
Batchno.20251121 5g In stock Tianjin, Wuhan Inquiry
  • Product code: SSC-015898
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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: 5g
  • Available purity: ≥95%
  • 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 1159822-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1159822-27-1 / benzyl 3-aminopyrrolidine-1-carboxylate;hydrochloride

benzyl 3-aminopyrrolidine-1-carboxylate hydrochloride | 1-Cbz-3-aminopyrrolidine hydrochloride | MFCD09955427

Standard CAS: 1159822-27-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1159822-27-1
Multi CAS
Yes
Molecular Formula
C12H17ClN2O2
Molecular Weight
256.730000
Exact Mass
256.097856
SMILES
C1CN(CC1N)C(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C12H16N2O2.ClH/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H
InChIKey
QNQVBYGRFHOBNO-UHFFFAOYSA-N
Synonyms
benzyl 3-aminopyrrolidine-1-carboxylate hydrochloride 1-Cbz-3-aminopyrrolidine hydrochloride MFCD09955427 1-Cbz-3-Aminopyrrolidine HCl benzyl 3-aminopyrrolidine-1-carboxylate;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.04
TPSA
55.56

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

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

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