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CAS 63590-62-5 N-(Tetrahydro-2-furoylcarbonyl)piperazine hydrobromide molecular structure lightbox
CAS RN: 63590-62-5

N-(Tetrahydro-2-furoylcarbonyl)piperazine hydrobromide

  • Product code: SSC-173296
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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: 25g
  • Available purity: ＞97%
  • 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 63590-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

63590-62-5 / oxolan-2-yl(piperazin-1-yl)methanone;hydrobromide

Standard CAS: 63590-62-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63590-62-5
Multi CAS
Yes
Molecular Formula
BC9H17O2Rn2
Molecular Weight
265.150000
Exact Mass
264.047340
InChI
InChI=1S/C9H16N2O2.BrH/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;/h8,10H,1-7H2;1H
InChIKey
IMMDGWNBMNOMPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.75
TPSA
41.57

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.18
Consensus LogP
0.17
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-4.21

Drug-likeness / Medicinal Chemistry

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

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