CAS RN: 98905-03-4
3-bromo-m-terphenyl
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.20260219 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS98905-03-4
- Purity/Analytical Methods: >99.0%
98905-03-4 / 1-bromo-3-(3-phenylphenyl)benzene
Basic Information
CAS
98905-03-4
Multi CAS
No
Molecular Formula
C18H13BR
Molecular Weight
309.200000
Exact Mass
308.020060
InChI
InChI=1S/C18H13Br/c19-18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13H
InChIKey
YDFHRBGWDLALOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
2
Molar refractivity
85.01
TPSA
0.0000
LogP / Solubility
WLOGP
5.78
MLOGP
5.1
XLogP3
6.3
Consensus LogP
5.73
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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