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CAS 304481-72-9 2,4-Dihydroxy-N’-(2-hydroxy-5-nitrobenzylidene)benzohydrazide molecular structure lightbox
CAS RN: 304481-72-9

2,4-Dihydroxy-N’-(2-hydroxy-5-nitrobenzylidene)benzohydrazide

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251122 100mg Out of stock Inquiry
Batchno.20260210 25mg In stock Shanghai Inquiry
Batchno.20250424 50mg Out of stock Inquiry
  • Product code: starshine_CAS304481-72-9
  • Purity/Analytical Methods: >99.0%
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304481-72-9 / 2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

Standard CAS: 304481-72-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
304481-72-9
Multi CAS
Yes
Molecular Formula
C14H11N3O6
Molecular Weight
317.250000
Exact Mass
317.064785
InChI
InChI=1S/C14H11N3O6/c18-10-2-3-11(13(20)6-10)14(21)16-15-7-8-5-9(17(22)23)1-4-12(8)19/h1-7,18-20H,(H,16,21)
InChIKey
OXONIXZPWKJHMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
4
Molar refractivity
79.59
TPSA
145.29

LogP / Solubility

WLOGP
1.48
MLOGP
1.31
XLogP3
2.1
Consensus LogP
1.63
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

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

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