CAS RN: 14548-49-3
(4-BroMophenyl)-4-pyridinyl-Methanone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260110 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS14548-49-3
- Purity/Analytical Methods: >99.0%
14548-49-3 / (4-bromophenyl)-pyridin-4-ylmethanone
Basic Information
CAS
14548-49-3
Multi CAS
No
Molecular Formula
C12H8BrNO
Molecular Weight
262.100000
Exact Mass
260.978930
SMILES
C1=CC(=CC=C1C(=O)C2=CC=NC=C2)Br
InChI
InChI=1S/C12H8BrNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
InChIKey
RVVUXTXBVYRBRR-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
2.4
Consensus LogP
2.73
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
Customers Also Viewed
-
-
-
-
4-(4-Methyl-1-piperazinyl)-3-pyridinamine
- CAS RN: 14549-59-8
- Product Code: starshine_CAS14549-59-8
- Purity/Analytical method: >99.0%
-
-
