CAS RN: 191725-72-1
1H-Imidazole-1-ethanol,beta-methyl-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250502 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS191725-72-1
- Purity/Analytical Methods: >99.0%
191725-72-1 / 2-imidazol-1-ylpropan-1-ol
Basic Information
CAS
191725-72-1
Multi CAS
No
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
SMILES
CC(CO)N1C=CN=C1
InChI
InChI=1S/C6H10N2O/c1-6(4-9)8-3-2-7-5-8/h2-3,5-6,9H,4H2,1H3
InChIKey
ZEMKCDHZMTZUKJ-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
3
H-bond donors
1
Molar refractivity
34.02
TPSA
38.05
LogP / Solubility
WLOGP
0.44
MLOGP
0.38
XLogP3
-0.3
Consensus LogP
0.17
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.08
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)
-3.18
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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(3beta,5alpha,11alpha,12beta,14beta,17alpha)-12-(Acetyloxy)-3-[[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-beta-D-arabinohexopyranosyl]oxy]-8,14-epoxy-11-(2-methyl-1-oxobutoxy)pregnan-20-one
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![CAS 191729-45-0 (3beta,5alpha,11alpha,12beta,14beta,17alpha)-12-(Acetyloxy)-3-[[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-beta-D-arabinohexopyranosyl]oxy]-8,14-epoxy-11-(2-methyl-1-oxobutoxy)pregnan-20-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/191729-45-0.gif)