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CAS 56222-35-6 3-hydroxy-1-nitrosopyrrolidine molecular structure lightbox
CAS RN: 56222-35-6

3-hydroxy-1-nitrosopyrrolidine

  • Product code: SSC-164209
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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 56222-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

56222-35-6 / 1-nitrosopyrrolidin-3-ol

Standard CAS: 56222-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56222-35-6
Multi CAS
No
Molecular Formula
C4H8N2O2
Molecular Weight
116.120000
Exact Mass
116.058578
InChI
InChI=1S/C4H8N2O2/c7-4-1-2-6(3-4)5-8/h4,7H,1-3H2
InChIKey
XDZKGLWJXJTZJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
27.99
TPSA
52.9

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.24
XLogP3
-0.8
Consensus LogP
-0.44
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very 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)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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