CAS RN: 1415238-77-5
2-Methyl-3-furoic acid iMidazolide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251106 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1415238-77-5
- Purity/Analytical Methods: >99.0%
1415238-77-5 / imidazol-1-yl-(2-methylfuran-3-yl)methanone
Basic Information
CAS
1415238-77-5
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
CC1=C(C=CO1)C(=O)N2C=CN=C2
InChI
InChI=1S/C9H8N2O2/c1-7-8(2-5-13-7)9(12)11-4-3-10-6-11/h2-6H,1H3
InChIKey
OOBPIWAAJBRELM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
45.4
TPSA
48.03
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1
Consensus LogP
1.25
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-2.75
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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