CAS RN: 265127-65-9

Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-phenyl-, (4R,4’R)-

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  • Product code: starshine_CAS265127-65-9
  • Purity/Analytical Methods: >99.0%
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265127-65-9 / 4-phenyl-2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole

Standard CAS: 265127-65-9 Multi CAS: Yes

Basic Information

CAS
265127-65-9
Multi CAS
Yes
Molecular Formula
C24H20N2O2
Molecular Weight
368.400000
Exact Mass
368.152478
InChI
InChI=1S/C24H20N2O2/c1-3-8-17(9-4-1)21-15-27-23(25-21)19-12-7-13-20(14-19)24-26-22(16-28-24)18-10-5-2-6-11-18/h1-14,21-22H,15-16H2
InChIKey
OIHAUXMSWARTNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
109.79
TPSA
43.18

LogP / Solubility

WLOGP
4.72
MLOGP
4.18
XLogP3
4.4
Consensus LogP
4.43
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
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)
-1.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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