CAS RN: 853745-58-1
1-(3,4-Difluoro-Phenyl)-Piperazine Hydrochloride
- Product code: SSC-193727
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
853745-58-1 / 1-(3,4-difluorophenyl)piperazine;hydrochloride
Basic Information
CAS
853745-58-1
Multi CAS
No
Molecular Formula
C10H13CLF2N2
Molecular Weight
234.670000
Exact Mass
234.073532
InChI
InChI=1S/C10H12F2N2.ClH/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14;/h1-2,7,13H,3-6H2;1H
InChIKey
TZXQNQUWTAFXDZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.69
TPSA
15.27
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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