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CAS 112410-23-8 Tebufenozide molecular structure lightbox
CAS RN: 112410-23-8

Tebufenozide

  • Product code: SSC-012849
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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 112410-23-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

112410-23-8 / N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide

Tebufenozide | N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide | Confirm

Standard CAS: 112410-23-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
112410-23-8
Multi CAS
No
Molecular Formula
C22H28N2O2
Molecular Weight
352.500000
Exact Mass
352.215078
SMILES
CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C
InChI
InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
InChIKey
QYPNKSZPJQQLRK-UHFFFAOYSA-N
Synonyms
Tebufenozide N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide Confirm RH-5992 Mimic

Physical Properties

Melting Point
191 °C
Density
1.03 (20 °C, pycrometer method)
Physical Description
Off-white solid; [HSDB] Off-white powder
Appearance
Off-white powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
105.12
TPSA
49.41

LogP / Solubility

WLOGP
4.45
MLOGP
3.94
XLogP3
3.9
Consensus LogP
4.1
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
Class (SILICOS-IT)
Insoluble

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)
-1.71

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

Safety & Transport

Pictogram(s)
Environmental Hazard Irritant Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H400 (31.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (31.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
Precautionary Statement Codes
P273, P391, and P501 P203, P260, P261, P264, P270, P271, P273, P280, P304+P340, P318, P319, P391, P403+P233, P405, and P501 P260, P319, and P501

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