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CAS 519188-72-8 trans-3,4-Dihydroxypyrrolidine hydrochloride molecular structure lightbox
CAS RN: 519188-72-8

trans-3,4-Dihydroxypyrrolidine hydrochloride

  • Product code: SSC-158961
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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 519188-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

519188-72-8 / (3S,4R)-pyrrolidine-3,4-diol;hydrochloride

Standard CAS: 519188-72-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
519188-72-8
Multi CAS
Yes
Molecular Formula
C4H10CLNO2
Molecular Weight
139.580000
Exact Mass
139.040006
InChI
InChI=1S/C4H9NO2.ClH/c6-3-1-5-2-4(3)7;/h3-7H,1-2H2;1H
InChIKey
VADWFRGDDJHKNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.13
TPSA
52.49

LogP / Solubility

WLOGP
-1.27
MLOGP
-1.12
XLogP3
-1.27
Consensus LogP
-1.22
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.48
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.47

Drug-likeness / Medicinal Chemistry

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

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