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CAS 363571-83-9 3,5-dibromo-N’-{(E)-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-4-hydroxybenzohydrazide molecular structure lightbox
CAS RN: 363571-83-9

3,5-dibromo-N’-{(E)-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-4-hydroxybenzohydrazide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS363571-83-9
  • Purity/Analytical Methods: >99.0%
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363571-83-9 / 3,5-dibromo-N-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-4-hydroxybenzamide

Standard CAS: 363571-83-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
363571-83-9
Multi CAS
Yes
Molecular Formula
C20H16BR2N4O4
Molecular Weight
536.200000
Exact Mass
535.951780
InChI
InChI=1S/C20H16Br2N4O4/c1-11-6-14(12(2)25(11)15-4-3-5-16(9-15)26(29)30)10-23-24-20(28)13-7-17(21)19(27)18(22)8-13/h3-10,27H,1-2H3,(H,24,28)/b23-10+
InChIKey
DUGCMEGLYHBMAR-AUEPDCJTSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
120.46
TPSA
109.76

LogP / Solubility

WLOGP
5
MLOGP
4.44
XLogP3
4.9
Consensus LogP
4.78
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
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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