![CAS 2387562-53-8 (4S)-4-isopropyl-5,5-diphenyl-3-[(2R,3S)-4,4,4-trifluoro-3-hydroxy-2,3-dimethyl-butanoyl]oxazolidin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2387562-53-8.gif)
CAS RN: 2387562-53-8
(4S)-4-isopropyl-5,5-diphenyl-3-[(2R,3S)-4,4,4-trifluoro-3-hydroxy-2,3-dimethyl-butanoyl]oxazolidin-2-one
- Product code: SSC-116643
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2387562-53-8 / (4S)-5,5-diphenyl-4-propan-2-yl-3-[(2R,3S)-4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one
Basic Information
CAS
2387562-53-8
Multi CAS
No
Molecular Formula
C24H26F3NO4
Molecular Weight
449.500000
Exact Mass
449.181393
SMILES
C[C@@H](C(=O)N1[C@H](C(OC1=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C)[C@@](C)(C(F)(F)F)O
InChI
InChI=1S/C24H26F3NO4/c1-15(2)19-23(17-11-7-5-8-12-17,18-13-9-6-10-14-18)32-21(30)28(19)20(29)16(3)22(4,31)24(25,26)27/h5-16,19,31H,1-4H3/t16-,19-,22-/m0/s1
InChIKey
JNVMIWCQJDDPOU-BPXKWBHBSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
111.46
TPSA
66.84
LogP / Solubility
WLOGP
4.88
MLOGP
4.33
XLogP3
5.3
Consensus LogP
4.84
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.23
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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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