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CAS 1332896-69-1 5′-(4-(hydrazinecarbonyl)phenyl)-[1,1′:3′,1”-terphenyl]-4,4”-dicarbohydrazide molecular structure lightbox
CAS RN: 1332896-69-1

5′-(4-(hydrazinecarbonyl)phenyl)-[1,1′:3′,1”-terphenyl]-4,4”-dicarbohydrazide

  • Product code: SSC-039976
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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: 1g
  • 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 1332896-69-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1332896-69-1 / 4-[3,5-bis[4-(hydrazinecarbonyl)phenyl]phenyl]benzohydrazide

Standard CAS: 1332896-69-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1332896-69-1
Multi CAS
No
Molecular Formula
C27H24N6O3
Molecular Weight
480.500000
Exact Mass
480.190989
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C(=O)NN)C4=CC=C(C=C4)C(=O)NN)C(=O)NN
InChI
InChI=1S/C27H24N6O3/c28-31-25(34)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(35)32-29)15-24(14-22)18-5-11-21(12-6-18)27(36)33-30/h1-15H,28-30H2,(H,31,34)(H,32,35)(H,33,36)
InChIKey
BXNHHBBMWCOCBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
6
Molar refractivity
137.71
TPSA
165.36

LogP / Solubility

WLOGP
2.5
MLOGP
2.23
XLogP3
2.4
Consensus LogP
2.38
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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