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CAS 433238-84-7 PP7 molecular structure lightbox
CAS RN: 433238-84-7

PP7

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 1mg / 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS433238-84-7
  • Purity/Analytical Methods: >99.0%
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433238-84-7 / (4E)-1-(3,4-dichlorophenyl)-4-[(4-ethoxyphenyl)methylidene]pyrazolidine-3,5-dione

Standard CAS: 433238-84-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
433238-84-7
Multi CAS
Yes
Molecular Formula
C18H14CL2N2O3
Molecular Weight
377.200000
Exact Mass
376.038148
InChI
InChI=1S/C18H14Cl2N2O3/c1-2-25-13-6-3-11(4-7-13)9-14-17(23)21-22(18(14)24)12-5-8-15(19)16(20)10-12/h3-10H,2H2,1H3,(H,21,23)/b14-9+
InChIKey
XFGORAOOZWWQKK-NTEUORMPSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.68
TPSA
58.64

LogP / Solubility

WLOGP
3.85
MLOGP
3.41
XLogP3
4.4
Consensus LogP
3.89
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
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)
-2.29

Drug-likeness / Medicinal Chemistry

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

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