CAS RN: 2251-50-5
Pentafluorobenzoyl Chloride
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251024 | 100g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260224 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250313 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251225 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260312 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: SSC-110077
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: 1g, 5g, 100g, 25g, 500g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 1g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 5 In Stock | Shanghai | Inquiry |
| 100g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 4 In Stock | Hong Kong | Inquiry |
| 500g | >98% | 3 In Stock | Hong Kong | Inquiry |
2251-50-5 / 2,3,4,5,6-pentafluorobenzoyl chloride
Basic Information
CAS
2251-50-5
Multi CAS
No
Molecular Formula
C7ClF5O
Molecular Weight
230.520000
Exact Mass
229.955783
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)Cl
InChI
InChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10
InChIKey
MYHOHFDYWMPGJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.42
TPSA
17.07
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
2.9
Consensus LogP
2.7
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.17
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
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