CAS RN: 438050-07-8

(R)-2-Ethylpiperazine Dihydrochloride

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  • Product code: starshine_CAS438050-07-8
  • Purity/Analytical Methods: >99.0%
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438050-07-8 / (2R)-2-ethylpiperazine

Standard CAS: 438050-07-8 Multi CAS: Yes

Basic Information

CAS
438050-07-8
Multi CAS
Yes
Molecular Formula
C6H14N2
Molecular Weight
114.190000
Exact Mass
114.115698
InChI
InChI=1S/C6H14N2.2ClH/c1-2-6-5-7-3-4-8-6;;/h6-8H,2-5H2,1H3;2*1H/t6-;;/m1../s1
InChIKey
VCKAKBROIJTVJI-QYCVXMPOSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.95
TPSA
24.06

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.05
XLogP3
0.1
Consensus LogP
0.0000
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
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)
-3.45

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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