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CAS 118001-71-1 4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHOXY]BENZALDEHYDE molecular structure lightbox
CAS RN: 118001-71-1

4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHOXY]BENZALDEHYDE

  • Product code: SSC-017883
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 118001-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Shenzhen Inquiry

118001-71-1 / 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde

4-[(1-methyl-1H-imidazol-2-yl)methoxy]benzaldehyde | 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde | 4-(1-Methyl-1H-imidazol-2-ylmethoxy)-benzaldehyde

Standard CAS: 118001-71-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118001-71-1
Multi CAS
Yes
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
SMILES
CN1C=CN=C1COC2=CC=C(C=C2)C=O
InChI
InChI=1S/C12H12N2O2/c1-14-7-6-13-12(14)9-16-11-4-2-10(8-15)3-5-11/h2-8H,9H2,1H3
InChIKey
DMUKYFSMBNHCHM-UHFFFAOYSA-N
Synonyms
4-[(1-methyl-1H-imidazol-2-yl)methoxy]benzaldehyde 4-[(1-methylimidazol-2-yl)methoxy]benzaldehyde 4-(1-Methyl-1H-imidazol-2-ylmethoxy)-benzaldehyde MFCD05863357 4-[(1-Methyl-2-imidazolyl)methoxy]benzaldehyde

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
59.37
TPSA
44.12

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1
Consensus LogP
1.47
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-2.75

Drug-likeness / Medicinal Chemistry

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

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