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CAS 1864003-48-4 benzyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1864003-48-4

benzyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250212 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-086468
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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: 0.25g
  • 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 1864003-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1864003-48-4 / benzyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride

Standard CAS: 1864003-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1864003-48-4
Multi CAS
No
Molecular Formula
C12H16ClNO3
Molecular Weight
257.710000
Exact Mass
257.081871
SMILES
C1[C@@H](CN[C@@H]1C(=O)OCC2=CC=CC=C2)O.Cl
InChI
InChI=1S/C12H15NO3.ClH/c14-10-6-11(13-7-10)12(15)16-8-9-4-2-1-3-5-9;/h1-5,10-11,13-14H,6-8H2;1H/t10-,11-;/m0./s1
InChIKey
LVYXMDJSWLEZMP-ACMTZBLWSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.9
TPSA
58.56

LogP / Solubility

WLOGP
0.87
MLOGP
0.78
XLogP3
0.87
Consensus LogP
0.84
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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