[email protected]
CAS 102432-03-1 4-(1H-IMIDAZOL-1-YLMETHYL)BENZALDEHYDE molecular structure lightbox
CAS RN: 102432-03-1

4-(1H-IMIDAZOL-1-YLMETHYL)BENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS102432-03-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

102432-03-1 / 4-(imidazol-1-ylmethyl)benzaldehyde

4-(1H-Imidazol-1-ylmethyl)benzaldehyde | 4-(imidazol-1-ylmethyl)benzaldehyde | MFCD08271920

Standard CAS: 102432-03-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102432-03-1
Multi CAS
Yes
Molecular Formula
C11H10N2O
Molecular Weight
186.210000
Exact Mass
186.079313
SMILES
C1=CC(=CC=C1CN2C=CN=C2)C=O
InChI
InChI=1S/C11H10N2O/c14-8-11-3-1-10(2-4-11)7-13-6-5-12-9-13/h1-6,8-9H,7H2
InChIKey
PYVCQHSLEIAQET-UHFFFAOYSA-N
Synonyms
4-(1H-Imidazol-1-ylmethyl)benzaldehyde 4-(imidazol-1-ylmethyl)benzaldehyde MFCD08271920 Benzaldehyde, 4-(1H-imidazol-1-ylmethyl)- 4-((1h-imidazol-1-yl)methyl)benzaldehyde

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
53.16
TPSA
34.89

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.1
Consensus LogP
1.46
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.62

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

Customers Also Viewed

Get In Touch

Contact Us