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CAS 59037-70-6 1-FURAN-2-YLMETHYL-PIPERAZINE molecular structure lightbox
CAS RN: 59037-70-6

1-FURAN-2-YLMETHYL-PIPERAZINE

  • Product code: SSC-167405
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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 59037-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

59037-70-6 / 1-(furan-2-ylmethyl)piperazine

Standard CAS: 59037-70-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59037-70-6
Multi CAS
Yes
Molecular Formula
C9H14N2O
Molecular Weight
166.220000
Exact Mass
166.110613
InChI
InChI=1S/C9H14N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h1-2,7,10H,3-6,8H2
InChIKey
GQSSZKRUQKGOJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.85
TPSA
28.41

LogP / Solubility

WLOGP
0.68
MLOGP
0.6
XLogP3
0.2
Consensus LogP
0.49
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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