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CAS 2240179-63-7 Dexmedetomidine-007 molecular structure lightbox
CAS RN: 2240179-63-7

Dexmedetomidine-007

  • Product code: SSC-109152
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2240179-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Beijing Inquiry

2240179-63-7 / 1-[1-(2,3-dimethylphenyl)ethyl]imidazole

Standard CAS: 2240179-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2240179-63-7
Multi CAS
No
Molecular Formula
C13H16N2
Molecular Weight
200.280000
Exact Mass
200.131349
SMILES
CC1=C(C(=CC=C1)C(C)N2C=CN=C2)C
InChI
InChI=1S/C13H16N2/c1-10-5-4-6-13(11(10)2)12(3)15-8-7-14-9-15/h4-9,12H,1-3H3
InChIKey
UCQCCXGGSUKZRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.96
TPSA
17.82

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
2.7
Consensus LogP
2.85
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

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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