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CAS 16851-72-2 N-(p-Toluenesulfonyl)-3-pyrroline molecular structure lightbox
CAS RN: 16851-72-2

N-(p-Toluenesulfonyl)-3-pyrroline

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251224 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260109 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250123 25g In stock Shenzhen, Tianjin Inquiry
Batchno.20250721 5g In stock Shanghai Inquiry
  • Product code: SSC-073424
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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: 25g
  • Available purity: ≥97%
  • 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 16851-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

16851-72-2 / 1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole

Standard CAS: 16851-72-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16851-72-2
Multi CAS
No
Molecular Formula
C11H13NO2S
Molecular Weight
223.290000
Exact Mass
223.066700
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC2
InChI
InChI=1S/C11H13NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-7H,8-9H2,1H3
InChIKey
UNYMIBRUQCUASP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.08
TPSA
37.38

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
1.7
Consensus LogP
1.54
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.98

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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