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CAS 342405-38-3 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 342405-38-3

5-METHYL-1-PHENYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE

  • Product code: SSC-140493
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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 342405-38-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

342405-38-3 / 5-methyl-1-phenylpyrazole-4-sulfonyl chloride

Standard CAS: 342405-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
342405-38-3
Multi CAS
No
Molecular Formula
C10H9CLN2O2S
Molecular Weight
256.710000
Exact Mass
256.007326
InChI
InChI=1S/C10H9ClN2O2S/c1-8-10(16(11,14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
IRJCRNZTDRODFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
61.34
TPSA
51.96

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2.3
Consensus LogP
2.09
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

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

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