CAS RN: 1823581-76-5
2-(2-Methyl-1,3-dioxolan-2-yl)-1H-iMidazole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251224 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823581-76-5
- Purity/Analytical Methods: >99.0%
1823581-76-5 / 2-(2-methyl-1,3-dioxolan-2-yl)-1H-imidazole
Basic Information
CAS
1823581-76-5
Multi CAS
No
Molecular Formula
C7H10N2O2
Molecular Weight
154.170000
Exact Mass
154.074228
SMILES
CC1(OCCO1)C2=NC=CN2
InChI
InChI=1S/C7H10N2O2/c1-7(10-4-5-11-7)6-8-2-3-9-6/h2-3H,4-5H2,1H3,(H,8,9)
InChIKey
FLIYSNZONTTWMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.84
TPSA
47.14
LogP / Solubility
WLOGP
0.63
MLOGP
0.55
XLogP3
-0.3
Consensus LogP
0.29
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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