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CAS 1447317-08-9 2-(1H-iMidazol-2-yl)propan-1-ol molecular structure lightbox
CAS RN: 1447317-08-9

2-(1H-iMidazol-2-yl)propan-1-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1447317-08-9
  • Purity/Analytical Methods: >99.0%
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1447317-08-9 / 2-(1H-imidazol-2-yl)propan-1-ol

Standard CAS: 1447317-08-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1447317-08-9
Multi CAS
No
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
SMILES
CC(CO)C1=NC=CN1
InChI
InChI=1S/C6H10N2O/c1-5(4-9)6-7-2-3-8-6/h2-3,5,9H,4H2,1H3,(H,7,8)
InChIKey
PRQKWQBYKJQGJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.09
TPSA
48.91

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
Consensus LogP
0.32
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
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)
-3.13

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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