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CAS 1679-98-7 2,5-Bis(4-diethylaminophenyl)-1,3,4-oxadiazole molecular structure lightbox
CAS RN: 1679-98-7

2,5-Bis(4-diethylaminophenyl)-1,3,4-oxadiazole

  • Product code: SSC-073230
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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: 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 1679-98-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

1679-98-7 / 4-[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-N,N-diethylaniline

Standard CAS: 1679-98-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1679-98-7
Multi CAS
No
Molecular Formula
C22H28N4O
Molecular Weight
364.500000
Exact Mass
364.226312
SMILES
CCN(CC)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)N(CC)CC
InChI
InChI=1S/C22H28N4O/c1-5-25(6-2)19-13-9-17(10-14-19)21-23-24-22(27-21)18-11-15-20(16-12-18)26(7-3)8-4/h9-16H,5-8H2,1-4H3
InChIKey
UZGVMZRBRRYLIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
112.29
TPSA
45.4

LogP / Solubility

WLOGP
5.1
MLOGP
4.5
XLogP3
4.8
Consensus LogP
4.8
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
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)
-1.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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