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CAS 51384-51-1 Metoprolol molecular structure lightbox
CAS RN: 51384-51-1

Metoprolol

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  • Product code: starshine_CAS51384-51-1
  • Purity/Analytical Methods: >99.0%
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51384-51-1 / 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

Standard CAS: 51384-51-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
51384-51-1
Multi CAS
Yes
Molecular Formula
C15H25NO3
Molecular Weight
267.360000
Exact Mass
267.183444
InChI
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKey
IUBSYMUCCVWXPE-UHFFFAOYSA-N

Physical Properties

Boiling Point
398ºC (estimate)
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.66
TPSA
50.72

LogP / Solubility

WLOGP
1.61
MLOGP
1.43
XLogP3
1.9
Consensus LogP
1.65
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

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

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