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CAS 1572184-68-9 (E)-N-((1H-INDOL-6-YL)METHYLENE)-2-(2-(TETRAHYDRO-2H-PYRAN-4-YL)-4,6-DIMETHYLPHENOXY)ACETOHYDRAZIDE molecular structure lightbox
CAS RN: 1572184-68-9

(E)-N-((1H-INDOL-6-YL)METHYLENE)-2-(2-(TETRAHYDRO-2H-PYRAN-4-YL)-4,6-DIMETHYLPHENOXY)ACETOHYDRAZIDE

  • Product code: SSC-066311
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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: 0.25g
  • 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 1572184-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1572184-68-9 / 2-[2,4-dimethyl-6-(oxan-4-yl)phenoxy]-N-[(E)-1H-indol-6-ylmethylideneamino]acetamide

Standard CAS: 1572184-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1572184-68-9
Multi CAS
No
Molecular Formula
C24H27N3O3
Molecular Weight
405.500000
Exact Mass
405.205242
SMILES
CC1=CC(=C(C(=C1)C2CCOCC2)OCC(=O)N/N=C/C3=CC4=C(C=C3)C=CN4)C
InChI
InChI=1S/C24H27N3O3/c1-16-11-17(2)24(21(12-16)19-6-9-29-10-7-19)30-15-23(28)27-26-14-18-3-4-20-5-8-25-22(20)13-18/h3-5,8,11-14,19,25H,6-7,9-10,15H2,1-2H3,(H,27,28)/b26-14+
InChIKey
GKDSQRIJIGRMRV-VULFUBBASA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
118.24
TPSA
75.71

LogP / Solubility

WLOGP
4.21
MLOGP
3.73
XLogP3
4.1
Consensus LogP
4.01
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.51
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)
-2.21

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
3

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