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CAS 56643-83-5 1,4-Bis[(1H-imidazol-1-yl)methyl]benzene molecular structure lightbox
CAS RN: 56643-83-5

1,4-Bis[(1H-imidazol-1-yl)methyl]benzene

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251102 100g In stock Shanghai Inquiry
Batchno.20250919 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260217 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260301 25g In stock Shanghai Inquiry
Batchno.20260606 500g In stock Shanghai Inquiry
Batchno.20251029 5g In stock Shanghai, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250320 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTB4023
  • Purity/Analytical Methods: >98.0%(GC)
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56643-83-5 / 1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole

Standard CAS: 56643-83-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56643-83-5
Multi CAS
No
Molecular Formula
C14H14N4
Molecular Weight
238.290000
Exact Mass
238.121846
InChI
InChI=1S/C14H14N4/c1-2-14(10-18-8-6-16-12-18)4-3-13(1)9-17-7-5-15-11-17/h1-8,11-12H,9-10H2
InChIKey
NKUFFYFOBGGDTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
69.1
TPSA
35.64

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
1.3
Consensus LogP
1.8
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-2.63

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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