CAS RN: 206357-52-0
(5-Bromo-2-pyridinyl)(phenyl)methanone
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.20250701 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: LINB929159
206357-52-0 / (5-bromo-2-pyridinyl)-phenylmethanone
Basic Information
CAS
206357-52-0
Multi CAS
No
Molecular Formula
C12H8BrNO
Molecular Weight
262.100000
Exact Mass
260.978930
SMILES
C1=CC=C(C=C1)C(=O)C2=NC=C(C=C2)Br
InChI
InChI=1S/C12H8BrNO/c13-10-6-7-11(14-8-10)12(15)9-4-2-1-3-5-9/h1-8H
InChIKey
LTXZWEQLVKTQRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.81
TPSA
29.96
LogP / Solubility
WLOGP
3.08
MLOGP
2.71
XLogP3
2.6
Consensus LogP
2.8
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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