CAS RN: 412293-98-2
1-(Phenylsulfonyl)Piperazine Hydrochloride(WXC02506)
- Product code: SSC-149652
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
412293-98-2 / 1-(benzenesulfonyl)piperazine;hydrochloride
Basic Information
CAS
412293-98-2
Multi CAS
No
Molecular Formula
C10H15CLN2O2S
Molecular Weight
262.760000
Exact Mass
262.054277
InChI
InChI=1S/C10H14N2O2S.ClH/c13-15(14,10-4-2-1-3-5-10)12-8-6-11-7-9-12;/h1-5,11H,6-9H2;1H
InChIKey
DBKAXFRZGQJNHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.32
TPSA
49.41
LogP / Solubility
WLOGP
0.7
MLOGP
0.63
XLogP3
0.7
Consensus LogP
0.68
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.82
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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