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CAS 379223-64-0 3-(3,4-DIMETHOXYPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 379223-64-0

3-(3,4-DIMETHOXYPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

  • Product code: SSC-145362
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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: 0.25g
  • 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 379223-64-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

379223-64-0 / 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylic acid

Standard CAS: 379223-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
379223-64-0
Multi CAS
No
Molecular Formula
C18H16N2O4
Molecular Weight
324.300000
Exact Mass
324.111007
InChI
InChI=1S/C18H16N2O4/c1-23-15-9-8-12(10-16(15)24-2)17-14(18(21)22)11-20(19-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,22)
InChIKey
TZYXKOWJIFWEAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
89.06
TPSA
73.58

LogP / Solubility

WLOGP
3.25
MLOGP
2.88
XLogP3
3
Consensus LogP
3.04
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

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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