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CAS 18336-39-5 4-(1H-PYRAZOL-1-YL)BENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 18336-39-5

4-(1H-PYRAZOL-1-YL)BENZENESULFONYL CHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250821 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-084832
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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 18336-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

18336-39-5 / 4-pyrazol-1-ylbenzenesulfonyl chloride

Standard CAS: 18336-39-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18336-39-5
Multi CAS
No
Molecular Formula
C9H7ClN2O2S
Molecular Weight
242.680000
Exact Mass
241.991676
SMILES
C1=CN(N=C1)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClN2O2S/c10-15(13,14)9-4-2-8(3-5-9)12-7-1-6-11-12/h1-7H
InChIKey
AHXRGFFTKHQGOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.6
TPSA
51.96

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
2.2
Consensus LogP
1.86
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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