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CAS 914348-86-0 2-(2-METHYLIMIDAZOL-1-YL)BENZALDEHYDE molecular structure lightbox
CAS RN: 914348-86-0

2-(2-METHYLIMIDAZOL-1-YL)BENZALDEHYDE

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250909 100mg In stock Inquiry
Batchno.20260127 1g In stock Inquiry
Batchno.20260101 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 100mg Out of stock Inquiry
Batchno.20251011 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS914348-86-0
  • Purity/Analytical Methods: >99.0%
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914348-86-0 / 2-(2-methylimidazol-1-yl)benzaldehyde

Standard CAS: 914348-86-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914348-86-0
Multi CAS
No
Molecular Formula
C11H10N2O
Molecular Weight
186.210000
Exact Mass
186.079313
InChI
InChI=1S/C11H10N2O/c1-9-12-6-7-13(9)11-5-3-2-4-10(11)8-14/h2-8H,1H3
InChIKey
BNOJZJUNSOKVQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.69
TPSA
34.89

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.5
Consensus LogP
1.75
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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