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CAS 1097223-12-5 1-Pyridin-2-yl-1H-pyrazole-4-sulfonyl chloride molecular structure lightbox
CAS RN: 1097223-12-5

1-Pyridin-2-yl-1H-pyrazole-4-sulfonyl chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250331 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1097223-12-5
  • Purity/Analytical Methods: >99.0%
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1097223-12-5 / 1-pyridin-2-ylpyrazole-4-sulfonyl chloride

1-(pyridin-2-yl)-1H-pyrazole-4-sulfonyl chloride | 1-(2-Pyridinyl)-1H-pyrazole-4-sulfonyl chloride | 1-pyridin-2-ylpyrazole-4-sulfonyl chloride

Standard CAS: 1097223-12-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1097223-12-5
Multi CAS
No
Molecular Formula
C8H6ClN3O2S
Molecular Weight
243.670000
Exact Mass
242.986925
SMILES
C1=CC=NC(=C1)N2C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClN3O2S/c9-15(13,14)7-5-11-12(6-7)8-3-1-2-4-10-8/h1-6H
InChIKey
LNQAPNLDWVCFDY-UHFFFAOYSA-N
Synonyms
1-(pyridin-2-yl)-1H-pyrazole-4-sulfonyl chloride 1-(2-Pyridinyl)-1H-pyrazole-4-sulfonyl chloride 1-pyridin-2-ylpyrazole-4-sulfonyl chloride SCHEMBL3462656 MFCD12192690

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
54.4
TPSA
64.85

LogP / Solubility

WLOGP
1.19
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-3.36

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 Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

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