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CAS 86347-43-5 Dexmedetomidine-021 molecular structure lightbox
CAS RN: 86347-43-5

Dexmedetomidine-021

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS86347-43-5
  • Purity/Analytical Methods: >99.0%
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86347-43-5 / 5-[1-(2-methylphenyl)ethyl]-1H-imidazole

Standard CAS: 86347-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86347-43-5
Multi CAS
No
Molecular Formula
C12H14N2
Molecular Weight
186.250000
Exact Mass
186.115698
InChI
InChI=1S/C12H14N2/c1-9-5-3-4-6-11(9)10(2)12-7-13-8-14-12/h3-8,10H,1-2H3,(H,13,14)
InChIKey
BHMMGZDQUMFUEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.28
TPSA
28.68

LogP / Solubility

WLOGP
2.87
MLOGP
2.52
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

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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