![CAS 847783-38-4 1-[(2,4-DIFLUOROPHENYL)SULFONYL]PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2667010.gif)
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 |
847783-38-4 / 1-(2,4-difluorophenyl)sulfonylpiperazine
Basic Information
CAS
847783-38-4
Multi CAS
No
Molecular Formula
C10F2H12N2O2S
Molecular Weight
262.280000
Exact Mass
262.058755
InChI
InChI=1S/C10H12F2N2O2S/c11-8-1-2-10(9(12)7-8)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKey
BRCOHNLEUVNZPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.99
TPSA
49.41
LogP / Solubility
WLOGP
0.56
MLOGP
0.5
XLogP3
0.6
Consensus LogP
0.55
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
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)
-3.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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