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CAS 71850-04-9 beta-methylpiperazine-1-ethanol molecular structure lightbox
CAS RN: 71850-04-9

beta-methylpiperazine-1-ethanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS71850-04-9
  • Purity/Analytical Methods: >99.0%
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71850-04-9 / 2-piperazin-1-ylpropan-1-ol

Standard CAS: 71850-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71850-04-9
Multi CAS
Yes
Molecular Formula
C7H16N2O
Molecular Weight
144.210000
Exact Mass
144.126263
InChI
InChI=1S/C7H16N2O/c1-7(6-10)9-4-2-8-3-5-9/h7-8,10H,2-6H2,1H3
InChIKey
STSAIUCZKQGPNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.99
TPSA
35.5

LogP / Solubility

WLOGP
-0.73
MLOGP
-0.65
XLogP3
-0.6
Consensus LogP
-0.66
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.12

Drug-likeness / Medicinal Chemistry

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

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