![CAS 852180-52-0 (5-BROMO-3-BENZO[B]THIENYL)METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852180-52-0.gif)
CAS RN: 852180-52-0
(5-BROMO-3-BENZO[B]THIENYL)METHANOL
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.20250108 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-193464
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
852180-52-0 / (5-bromo-1-benzothiophen-3-yl)methanol
Basic Information
CAS
852180-52-0
Multi CAS
No
Molecular Formula
C9H7BROS
Molecular Weight
243.120000
Exact Mass
241.940100
InChI
InChI=1S/C9H7BrOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2
InChIKey
MYIMGJBVLBPXGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.45
TPSA
20.23
LogP / Solubility
WLOGP
3.16
MLOGP
2.78
XLogP3
2.7
Consensus LogP
2.88
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-1.96
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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![CAS 852180-70-2 [3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)PHENYL]METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/852180-70-2.gif)
