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CAS 57621-07-5 1-Cbz-3-hydroxy-pyrrolidine-2-carboxylic acid molecular structure lightbox
CAS RN: 57621-07-5

1-Cbz-3-hydroxy-pyrrolidine-2-carboxylic acid

  • Product code: SSC-165795
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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: ≥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 57621-07-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

57621-07-5 / 3-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

Standard CAS: 57621-07-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57621-07-5
Multi CAS
No
Molecular Formula
C13H15NO5
Molecular Weight
265.260000
Exact Mass
265.095023
InChI
InChI=1S/C13H15NO5/c15-10-6-7-14(11(10)12(16)17)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)
InChIKey
PXVPQILKAQMLKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.38
TPSA
87.07

LogP / Solubility

WLOGP
0.84
MLOGP
0.75
XLogP3
1.3
Consensus LogP
0.96
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74

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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