CAS RN: 928658-23-5
4-(6-Bromo-pyridin-2-yl)-benzoic acid
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.20251109 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS928658-23-5
- Purity/Analytical Methods: >99.0%
928658-23-5 / 4-(6-bromo-2-pyridinyl)benzoic acid
Basic Information
CAS
928658-23-5
Multi CAS
No
Molecular Formula
BC12H8O2Rn
Molecular Weight
278.100000
Exact Mass
276.973840
InChI
InChI=1S/C12H8BrNO2/c13-11-3-1-2-10(14-11)8-4-6-9(7-5-8)12(15)16/h1-7H,(H,15,16)
InChIKey
LJVFAKRRQNUNES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.33
TPSA
50.19
LogP / Solubility
WLOGP
3.21
MLOGP
2.83
XLogP3
3.1
Consensus LogP
3.05
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
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
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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