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CAS 93323-67-2 (3,5-DIPHENYL-PYRAZOL-1-YL)-ACETIC ACID molecular structure lightbox
CAS RN: 93323-67-2

(3,5-DIPHENYL-PYRAZOL-1-YL)-ACETIC ACID

  • Product code: SSC-207322
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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: ＞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 93323-67-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

93323-67-2 / 2-(3,5-diphenylpyrazol-1-yl)acetic acid

Standard CAS: 93323-67-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
93323-67-2
Multi CAS
No
Molecular Formula
C17H14N2O2
Molecular Weight
278.300000
Exact Mass
278.105528
InChI
InChI=1S/C17H14N2O2/c20-17(21)12-19-16(14-9-5-2-6-10-14)11-15(18-19)13-7-3-1-4-8-13/h1-11H,12H2,(H,20,21)
InChIKey
IIHJYPFNYZEWPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.73
TPSA
55.12

LogP / Solubility

WLOGP
3.3
MLOGP
2.91
XLogP3
3.3
Consensus LogP
3.17
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly 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)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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