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CAS 1172500-91-2 4-Benzenesulfonylpiperidine Hydrochloride molecular structure lightbox
CAS RN: 1172500-91-2

4-Benzenesulfonylpiperidine Hydrochloride

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260124 1g Out of stock 5-7 business days Inquiry
Batchno.20250109 250mg In stock Shanghai Inquiry
  • Product code: SSC-017118
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1172500-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1172500-91-2 / 4-(benzenesulfonyl)piperidine;hydrochloride

4-(Phenylsulfonyl)piperidine hydrochloride | RefChem:516624 | 822-660-6

Standard CAS: 1172500-91-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1172500-91-2
Multi CAS
No
Molecular Formula
C11H16ClNO2S
Molecular Weight
261.770000
Exact Mass
261.059028
SMILES
C1CNCCC1S(=O)(=O)C2=CC=CC=C2.Cl
InChI
InChI=1S/C11H15NO2S.ClH/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11;/h1-5,11-12H,6-9H2;1H
InChIKey
VHOOEJWBCPRXNM-UHFFFAOYSA-N
Synonyms
4-(Phenylsulfonyl)piperidine hydrochloride RefChem:516624 822-660-6 4-Benzenesulfonylpiperidine hydrochloride MFCD03840151

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.77
TPSA
46.17

LogP / Solubility

WLOGP
1.63
MLOGP
1.45
XLogP3
1.63
Consensus LogP
1.57
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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