CAS RN: 3543-46-2
5-Bromo-4-phenylpyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260610 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB898084
3543-46-2 / 5-bromo-4-phenylpyrimidine
Basic Information
CAS
3543-46-2
Multi CAS
No
Molecular Formula
BC10H7Rn2
Molecular Weight
235.080000
Exact Mass
233.979260
InChI
InChI=1S/C10H7BrN2/c11-9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-7H
InChIKey
SDPYFZLDWYNXJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.17
TPSA
25.78
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.09
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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