![CAS 2757082-85-0 Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-(2-methylpropyl)-, (4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757082-85-0.gif)
CAS RN: 2757082-85-0
Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-(2-methylpropyl)-, (4R)-
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250523 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2757082-85-0
- Purity/Analytical Methods: >99.0%
2757082-85-0 / [2-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
Basic Information
CAS
2757082-85-0
Multi CAS
No
Molecular Formula
C25H26NOP
Molecular Weight
387.500000
Exact Mass
387.175201
SMILES
CC(C)C[C@H]1COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H26NOP/c1-19(2)17-20-18-27-25(26-20)23-15-9-10-16-24(23)28(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,19-20H,17-18H2,1-2H3/t20-/m0/s1
InChIKey
OQSVWOIMWXPDER-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
120.88
TPSA
21.59
LogP / Solubility
WLOGP
4.64
MLOGP
4.1
XLogP3
5.9
Consensus LogP
4.88
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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