CAS RN: 77214-82-5
Iron(III) p-toluenesulfonate
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.20250915 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250629 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250731 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251105 | 500g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250524 | 5g | In stock | Shanghai, Chengdu | Inquiry |
- Product code: SSC-186711
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 | Shanghai | Inquiry |
77214-82-5 / iron;4-methylbenzenesulfonic acid
Basic Information
CAS
77214-82-5
Multi CAS
Yes
Molecular Formula
C7H8FEO3S
Molecular Weight
228.050000
Exact Mass
227.954351
InChI
InChI=1S/3C7H8O3S.Fe/c3*1-6-2-4-7(5-3-6)11(8,9)10;/h3*2-5H,1H3,(H,8,9,10);/q;;;+3/p-3
InChIKey
FYMCOOOLDFPFPN-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.99
TPSA
54.37
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
1.24
Consensus LogP
1.19
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-3.23
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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- CAS RN: 77234-00-5
- Product Code: SSC-186724
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