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CAS 5378-29-0 3-(1,3,4-OXADIAZOL-2-YL)PHENOL molecular structure lightbox
CAS RN: 5378-29-0

3-(1,3,4-OXADIAZOL-2-YL)PHENOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251203 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS5378-29-0
  • Purity/Analytical Methods: >99.0%
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5378-29-0 / 3-(1,3,4-oxadiazol-2-yl)phenol

Standard CAS: 5378-29-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5378-29-0
Multi CAS
Yes
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
InChI
InChI=1S/C8H6N2O2/c11-7-3-1-2-6(4-7)8-10-9-5-12-8/h1-5,11H
InChIKey
CSMNFUDFDBVTHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.4
TPSA
59.15

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
1.1
Consensus LogP
1.27
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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