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CAS 89501-93-9 1H-Pyrazole-4-sulfonylchloride,1,3-dimethyl-(9CI) molecular structure lightbox
CAS RN: 89501-93-9

1H-Pyrazole-4-sulfonylchloride,1,3-dimethyl-(9CI)

  • Product code: SSC-201500
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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, 5g
  • 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 89501-93-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

89501-93-9 / 1,3-dimethylpyrazole-4-sulfonyl chloride

Standard CAS: 89501-93-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89501-93-9
Multi CAS
No
Molecular Formula
C5H7CLN2O2S
Molecular Weight
194.640000
Exact Mass
193.991676
InChI
InChI=1S/C5H7ClN2O2S/c1-4-5(11(6,9)10)3-8(2)7-4/h3H,1-2H3
InChIKey
AFFSTQSBJFQGPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
40.98
TPSA
51.96

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.7
Consensus LogP
0.65
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-3.44

Drug-likeness / Medicinal Chemistry

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

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