CAS RN: 312497-23-7
2-(2-bromophenyl)-5-phenylthiophene
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.20260316 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS312497-23-7
- Purity/Analytical Methods: >99.0%
312497-23-7 / 2-(2-bromophenyl)-5-phenylthiophene
Basic Information
CAS
312497-23-7
Multi CAS
No
Molecular Formula
C16H11BRS
Molecular Weight
315.200000
Exact Mass
313.976480
InChI
InChI=1S/C16H11BrS/c17-14-9-5-4-8-13(14)16-11-10-15(18-16)12-6-2-1-3-7-12/h1-11H
InChIKey
DHJIJVOZNWNIMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
82.89
TPSA
28.2000
LogP / Solubility
WLOGP
5.84
MLOGP
5.16
XLogP3
5.6
Consensus LogP
5.53
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
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)
-0.49
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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