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CAS 1148-87-4 Isoxazole, 5-(4-chlorophenyl)-3-phenyl- molecular structure lightbox
CAS RN: 1148-87-4

Isoxazole, 5-(4-chlorophenyl)-3-phenyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1148-87-4
  • Purity/Analytical Methods: >99.0%
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1148-87-4 / 5-(4-chlorophenyl)-3-phenyl-1,2-oxazole

5-(p-Chlorophenyl)-3-phenylisoxazole | Isoxazole, 5-(p-chlorophenyl)-3-phenyl- | DTXSID20299318

Standard CAS: 1148-87-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1148-87-4
Multi CAS
Yes
Molecular Formula
C15H10ClNO
Molecular Weight
255.700000
Exact Mass
255.045092
SMILES
C1=CC=C(C=C1)C2=NOC(=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H10ClNO/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H
InChIKey
KRYRJGHZBHLLGM-UHFFFAOYSA-N
Synonyms
5-(p-Chlorophenyl)-3-phenylisoxazole Isoxazole, 5-(p-chlorophenyl)-3-phenyl- DTXSID20299318 RefChem:101835 DTXCID30250455

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
72.39
TPSA
26.03

LogP / Solubility

WLOGP
4.66
MLOGP
4.11
XLogP3
4.3
Consensus LogP
4.36
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.97

Drug-likeness / Medicinal Chemistry

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

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