Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 1g, 0.1g, 0.25g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 2 In Stock | Beijing | Inquiry |
23062-41-1 / 3-bromo-4-phenylthiophene
Basic Information
CAS
23062-41-1
Multi CAS
No
Molecular Formula
C10H7BrS
Molecular Weight
239.130000
Exact Mass
237.945180
SMILES
C1=CC=C(C=C1)C2=CSC=C2Br
InChI
InChI=1S/C10H7BrS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h1-7H
InChIKey
VECCHZOLKULHGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.46
TPSA
28.2000
LogP / Solubility
WLOGP
4.18
MLOGP
3.68
XLogP3
3.9
Consensus LogP
3.92
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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