CAS RN: 370854-75-4

2-(4-chlorophenyl)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 5mg / 10mg / 25mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS370854-75-4
  • Purity/Analytical Methods: >99.0%
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370854-75-4 / 2-(4-chlorophenyl)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

Standard CAS: 370854-75-4 Multi CAS: No

Basic Information

CAS
370854-75-4
Multi CAS
No
Molecular Formula
C20H14CLN3O3
Molecular Weight
379.800000
Exact Mass
379.072369
InChI
InChI=1S/C20H14ClN3O3/c21-15-7-3-13(4-8-15)12-18(25)22-16-9-5-14(6-10-16)19-23-24-20(27-19)17-2-1-11-26-17/h1-11H,12H2,(H,22,25)
InChIKey
ROWDABZTEOITHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
101.22
TPSA
81.16

LogP / Solubility

WLOGP
4.83
MLOGP
4.27
XLogP3
3.6
Consensus LogP
4.23
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.61

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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