CAS RN: 2491-38-5
2-Bromo-4′-hydroxyacetophenone
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260608 | 100g | Out of stock | Inquiry | |
| Batchno.20250810 | 25g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250327 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250515 | 5g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260123 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: SSC-120200
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | >97% | 0 Out of Stock | Beijing | Inquiry |
2491-38-5 / 2-bromo-1-(4-hydroxyphenyl)ethanone
Basic Information
CAS
2491-38-5
Multi CAS
No
Molecular Formula
C8H7BrO2
Molecular Weight
215.040000
Exact Mass
213.962940
SMILES
C1=CC(=CC=C1C(=O)CBr)O
InChI
InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2
InChIKey
LJYOFQHKEWTQRH-UHFFFAOYSA-N
Physical Properties
Physical Description
Reddish-brown odorless liquid; [Reference #1]
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.23
TPSA
37.3
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
2.4
Consensus LogP
2.04
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
