CAS RN: 1243204-92-3
3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzonitrile
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251015 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250412 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260315 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260104 | 5g | In stock | Shenzhen | Inquiry |
- Product code: starshine_CAS1243204-92-3
- Purity/Analytical Methods: >99.0%
1243204-92-3 / 3-methoxy-4-(4-methylimidazol-1-yl)benzonitrile
Basic Information
CAS
1243204-92-3
Multi CAS
No
Molecular Formula
C12H11N3O
Molecular Weight
213.230000
Exact Mass
213.090212
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)C#N)OC
InChI
InChI=1S/C12H11N3O/c1-9-7-15(8-14-9)11-4-3-10(6-13)5-12(11)16-2/h3-5,7-8H,1-2H3
InChIKey
PHDBCCIZTKTFGY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.57
TPSA
50.84
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
1.8
Consensus LogP
1.89
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately 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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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