![CAS 2757082-54-3 Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4,5-diphenyl-, (4R,5S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-54-3.gif)
CAS RN: 2757082-54-3
Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4,5-diphenyl-, (4R,5S)-
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS2757082-54-3
- Purity/Analytical Methods: >99.0%
2757082-54-3 / [2-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
Basic Information
CAS
2757082-54-3
Multi CAS
Yes
Molecular Formula
C33H26NOP
Molecular Weight
483.500000
Exact Mass
483.175201
InChI
InChI=1S/C33H26NOP/c1-5-15-25(16-6-1)31-32(26-17-7-2-8-18-26)35-33(34-31)29-23-13-14-24-30(29)36(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24,31-32H/t31-,32+/m1/s1
InChIKey
CWMZMWXTKNWZSZ-ZWXJPIIXSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
151.14
TPSA
21.59
LogP / Solubility
WLOGP
6.7
MLOGP
5.93
XLogP3
7.4
Consensus LogP
6.68
Log S (ESOL)
-7.28
Class (ESOL)
Insoluble
Log S (Ali)
-8.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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