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CAS 500024-95-3 1-Boc-2-(N-hydroxycarbamimidoyl)pyrrolidine molecular structure lightbox
CAS RN: 500024-95-3

1-Boc-2-(N-hydroxycarbamimidoyl)pyrrolidine

  • Product code: SSC-156318
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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: ≥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 500024-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

500024-95-3 / tert-butyl 2-[(E)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate

Standard CAS: 500024-95-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
500024-95-3
Multi CAS
Yes
Molecular Formula
C10H19N3O3
Molecular Weight
229.280000
Exact Mass
229.142641
InChI
InChI=1S/C10H19N3O3/c1-10(2,3)16-9(14)13-6-4-5-7(13)8(11)12-15/h7,15H,4-6H2,1-3H3,(H2,11,12)
InChIKey
NUMIITGLIZNJIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.37
TPSA
88.15

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
0.8
Consensus LogP
0.98
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.31

Drug-likeness / Medicinal Chemistry

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

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