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CAS 1217631-74-7 S-3-CBZ-AMINO PYRROLIDINE-HCl molecular structure lightbox
CAS RN: 1217631-74-7

S-3-CBZ-AMINO PYRROLIDINE-HCl

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251229 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250519 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250630 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251129 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-024454
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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: ＞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 1217631-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1217631-74-7 / benzyl N-[(3S)-pyrrolidin-3-yl]carbamate;hydrochloride

Standard CAS: 1217631-74-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217631-74-7
Multi CAS
No
Molecular Formula
C12H17ClN2O2
Molecular Weight
256.730000
Exact Mass
256.097856
SMILES
C1CNC[C@H]1NC(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C12H16N2O2.ClH/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);1H/t11-;/m0./s1
InChIKey
NTYLNBDQPCIAMI-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.29
TPSA
50.36

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-3.08

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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