CAS RN: 1263284-43-0
2-[4-(4-Bromo-phenyl)-1-methyl-1H-imidazol-2-yl]-pyridine, 97%(HPLC)
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| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20250327 |
200mg |
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1263284-43-0 / 2-[4-(4-bromophenyl)-1-methylimidazol-2-yl]pyridine
Standard CAS: 1263284-43-0
Multi CAS: No
Basic Information
CAS
1263284-43-0
Multi CAS
No
Molecular Formula
C15H12BrN3
Molecular Weight
314.180000
Exact Mass
313.021460
SMILES
CN1C=C(N=C1C2=CC=CC=N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H12BrN3/c1-19-10-14(11-5-7-12(16)8-6-11)18-15(19)13-4-2-3-9-17-13/h2-10H,1H3
InChIKey
RHCDQKUOKLLODV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
17
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
79.58
TPSA
30.71
LogP / Solubility
WLOGP
3.91
MLOGP
3.46
XLogP3
3
Consensus LogP
3.46
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5