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CAS 381214-65-9 3-[3-(3,4-DIMETHOXY-PHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-ACRYLIC ACID molecular structure lightbox
CAS RN: 381214-65-9

3-[3-(3,4-DIMETHOXY-PHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-ACRYLIC ACID

  • Product code: SSC-145625
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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 381214-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

381214-65-9 / (Z)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid

Standard CAS: 381214-65-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
381214-65-9
Multi CAS
Yes
Molecular Formula
C20H18N2O4
Molecular Weight
350.400000
Exact Mass
350.126657
InChI
InChI=1S/C20H18N2O4/c1-25-17-10-8-14(12-18(17)26-2)20-15(9-11-19(23)24)13-22(21-20)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,24)/b11-9+
InChIKey
FOGGGTGHKJQXFI-PKNBQFBNSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.77
TPSA
73.58

LogP / Solubility

WLOGP
3.65
MLOGP
3.23
XLogP3
3.4
Consensus LogP
3.43
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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