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CAS 69506-85-0 1,3-BIS(1-IMIDAZOLYL)PROPANE molecular structure lightbox
CAS RN: 69506-85-0

1,3-BIS(1-IMIDAZOLYL)PROPANE

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260401 10g In stock Shanghai Inquiry
Batchno.20250122 1g In stock Shanghai Inquiry
Batchno.20250419 250mg In stock Shanghai Inquiry
Batchno.20260623 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251226 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS69506-85-0
  • Purity/Analytical Methods: >99.0%
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69506-85-0 / 1-(3-imidazol-1-ylpropyl)imidazole

Standard CAS: 69506-85-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69506-85-0
Multi CAS
No
Molecular Formula
C9H12N4
Molecular Weight
176.220000
Exact Mass
176.106196
InChI
InChI=1S/C9H12N4/c1(4-12-6-2-10-8-12)5-13-7-3-11-9-13/h2-3,6-9H,1,4-5H2
InChIKey
ISXPITWIJWSEKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
49.07
TPSA
35.64

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
Consensus LogP
0.73
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
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)
-2.96

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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