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CAS 265127-66-0 Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-(phenylmethyl)-, (4S,4’S)- molecular structure lightbox
CAS RN: 265127-66-0

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

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Batchno.20260505 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS265127-66-0
  • Purity/Analytical Methods: >99.0%
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265127-66-0 / (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole

Standard CAS: 265127-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
265127-66-0
Multi CAS
No
Molecular Formula
C26H24N2O2
Molecular Weight
396.500000
Exact Mass
396.183778
SMILES
C1[C@@H](N=C(O1)C2=CC(=CC=C2)C3=N[C@H](CO3)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C26H24N2O2/c1-3-8-19(9-4-1)14-23-17-29-25(27-23)21-12-7-13-22(16-21)26-28-24(18-30-26)15-20-10-5-2-6-11-20/h1-13,16,23-24H,14-15,17-18H2/t23-,24-/m0/s1
InChIKey
UHOAUNITQWOZKN-ZEQRLZLVSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
119.29
TPSA
43.18

LogP / Solubility

WLOGP
4.46
MLOGP
3.95
XLogP3
5
Consensus LogP
4.47
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.66
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)
-1.97

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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