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CAS 882232-00-0 2-[4-(4-ISOPROPYL-BENZENESULFONYL)-PHENYL]-5-METHYL-2H-PYRAZOL-3-YLAMINE molecular structure lightbox
CAS RN: 882232-00-0

2-[4-(4-ISOPROPYL-BENZENESULFONYL)-PHENYL]-5-METHYL-2H-PYRAZOL-3-YLAMINE

  • Product code: SSC-198752
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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 882232-00-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

882232-00-0 / 5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine

Standard CAS: 882232-00-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
882232-00-0
Multi CAS
No
Molecular Formula
C19H21N3O2S
Molecular Weight
355.500000
Exact Mass
355.135448
InChI
InChI=1S/C19H21N3O2S/c1-13(2)15-4-8-17(9-5-15)25(23,24)18-10-6-16(7-11-18)22-19(20)12-14(3)21-22/h4-13H,20H2,1-3H3
InChIKey
LWTOBJGUZAYEAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.7
TPSA
77.98

LogP / Solubility

WLOGP
3.72
MLOGP
3.29
XLogP3
3.9
Consensus LogP
3.64
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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