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CAS 691868-88-9 8-(1,3,4-OXADIAZOL-2-YL)-2,4-BIS(TRIFLUOROMETHYL)IMIDAZO[1,2-A][1,8]NAPHTHYRIDINE molecular structure lightbox
CAS RN: 691868-88-9

8-(1,3,4-OXADIAZOL-2-YL)-2,4-BIS(TRIFLUOROMETHYL)IMIDAZO[1,2-A][1,8]NAPHTHYRIDINE

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250520 100mg In stock Shanghai Inquiry
Batchno.20250404 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250220 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260317 5g Out of stock Inquiry
  • Product code: starshine_CAS691868-88-9
  • Purity/Analytical Methods: >99.0%
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691868-88-9 / 2-[2,4-bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl]-1,3,4-oxadiazole

Standard CAS: 691868-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
691868-88-9
Multi CAS
No
Molecular Formula
C14F6H5N5O
Molecular Weight
373.210000
Exact Mass
373.039829
InChI
InChI=1S/C14H5F6N5O/c15-13(16,17)7-3-9(14(18,19)20)23-11-6(7)1-2-10-22-8(4-25(10)11)12-24-21-5-26-12/h1-5H
InChIKey
GRHYZVJEXKTJOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
73.79
TPSA
69.11

LogP / Solubility

WLOGP
3.97
MLOGP
3.51
XLogP3
3.7
Consensus LogP
3.73
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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