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CAS 51-41-2 Norepinephrine molecular structure lightbox
CAS RN: 51-41-2

Norepinephrine

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5 package records4 with current stock1 grade group
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  • Product code: starshine_CAS51-41-2
  • Purity/Analytical Methods: >99.0%
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51-41-2 / 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol

Standard CAS: 51-41-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51-41-2
Multi CAS
Yes
Molecular Formula
C8H11NO3
Molecular Weight
169.180000
Exact Mass
169.073893
InChI
InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
InChIKey
SFLSHLFXELFNJZ-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
43.79
TPSA
86.71

LogP / Solubility

WLOGP
0.09
MLOGP
0.08
XLogP3
-1.2
Consensus LogP
-0.34
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
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)
-3.69

Drug-likeness / Medicinal Chemistry

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

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