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 | Shenzhen | Inquiry |
78135-07-6 / potassium 4-chlorobenzenesulfonate
Basic Information
CAS
78135-07-6
Multi CAS
Yes
Molecular Formula
C6H4CLKO3S
Molecular Weight
230.710000
Exact Mass
229.920674
InChI
InChI=1S/C6H5ClO3S.K/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1
InChIKey
CRAWBPGXIICWMH-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
39.42
TPSA
57.2
LogP / Solubility
WLOGP
-1.75
MLOGP
-1.54
XLogP3
-1.75
Consensus LogP
-1.68
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.17
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.37
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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Nickel, [2,3-butanedione di(oxime-κN)]dichloro-
- CAS RN: 78147-26-9
- Product Code: SSC-187631
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![CAS 78147-26-9 Nickel, [2,3-butanedione di(oxime-κN)]dichloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/78147-26-9.gif)
