CAS RN: 1201802-61-0
2-Bromo-5-(2-pyridin-2-yl-1H-imidazol-4-yl)-pyridine, 97%(HPLC)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250420 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB926604
1201802-61-0 / 2-bromo-5-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine
2-bromo-5-(2-(pyridin-2-yl)-1H-imidazol-4-yl)pyridine | 2-bromo-5-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine | 2-Bromo-5-(2-pyridin-2-yl-1H-imidazol-4-yl)-pyridine
Basic Information
CAS
1201802-61-0
Multi CAS
No
Molecular Formula
C13H9BrN4
Molecular Weight
301.140000
Exact Mass
300.001060
SMILES
C1=CC=NC(=C1)C2=NC=C(N2)C3=CN=C(C=C3)Br
InChI
InChI=1S/C13H9BrN4/c14-12-5-4-9(7-16-12)11-8-17-13(18-11)10-3-1-2-6-15-10/h1-8H,(H,17,18)
InChIKey
FSLFBKYERVQHED-UHFFFAOYSA-N
Synonyms
2-bromo-5-(2-(pyridin-2-yl)-1H-imidazol-4-yl)pyridine
2-bromo-5-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine
2-Bromo-5-(2-pyridin-2-yl-1H-imidazol-4-yl)-pyridine
2-bromo-5-[2-(pyridin-2-yl)-1H-imidazol-4-yl]pyridine
SCHEMBL1303807
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.75
TPSA
54.46
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
2.3
Consensus LogP
2.84
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
