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CAS 1932110-67-2 Norepinephrine EP Impurity D molecular structure lightbox
CAS RN: 1932110-67-2

Norepinephrine EP Impurity D

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1932110-67-2
  • Purity/Analytical Methods: >99.0%
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1932110-67-2 / 4-[(1R)-2-amino-1-methoxyethyl]benzene-1,2-diol

Standard CAS: 1932110-67-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1932110-67-2
Multi CAS
No
Molecular Formula
C9H13NO3
Molecular Weight
183.200000
Exact Mass
183.089543
SMILES
CO[C@@H](CN)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C9H13NO3/c1-13-9(5-10)6-2-3-7(11)8(12)4-6/h2-4,9,11-12H,5,10H2,1H3/t9-/m0/s1
InChIKey
LNPKPYXTDNJNAQ-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
48.58
TPSA
75.71

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
-0.7
Consensus LogP
0.23
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.31

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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