CAS RN: 258513-41-6
2,5-DIFLUOROPHENACYL BROMIDE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-122478
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
258513-41-6 / 2-bromo-1-(2,5-difluorophenyl)ethanone
Basic Information
CAS
258513-41-6
Multi CAS
No
Molecular Formula
C8H5BrF2O
Molecular Weight
235.020000
Exact Mass
233.949180
SMILES
C1=CC(=C(C=C1F)C(=O)CBr)F
InChI
InChI=1S/C8H5BrF2O/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2
InChIKey
SFUWMFXQRHHPJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
44.48
TPSA
17.07
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.6
Consensus LogP
2.46
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-2.35
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
Customers Also Viewed
-
7-broMo-2-Methyl-1,2,3,4-tetrahydroisoquinoline
- CAS RN: 258515-54-7
- Product Code: SSC-122481
-
TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
- CAS RN: 258515-65-0
- Product Code: SSC-122482
-
-
-
3-AMINOISOXAZOLE-4-CARBONITRILE
- CAS RN: 258518-65-9
- Product Code: starshine_CAS258518-65-9
- Purity/Analytical method: >99.0%
-
2,6-Dibromo-4H-cyclopenta[2,1-b:3,4-b’]dithiophene
- CAS RN: 258527-25-2
- Product Code: SSC-122488
![CAS 258527-25-2 2,6-Dibromo-4H-cyclopenta[2,1-b:3,4-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/258527-25-2.gif)