CAS RN: 118621-30-0
2-(4-Bromophenyl)-5-phenylthiophene
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-018483
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
118621-30-0 / 2-(4-bromophenyl)-5-phenylthiophene
2-(4-bromophenyl)-5-phenylthiophene | MFCD21648452 | C16H11BrS
Basic Information
CAS
118621-30-0
Multi CAS
No
Molecular Formula
C16H11BrS
Molecular Weight
315.200000
Exact Mass
313.976480
SMILES
C1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H11BrS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11H
InChIKey
YMDCOEOZWHXGTM-UHFFFAOYSA-N
Synonyms
2-(4-bromophenyl)-5-phenylthiophene
MFCD21648452
C16H11BrS
2-(4-Bromophenyl)-5-phenyl thiophene
2-(4-bromophenyl)-5-phenyl-thiophene
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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