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CAS 129288-34-2 (S)-4-[4-(tert-Butoxy)benzyl]oxazolidine-2,5-dione molecular structure lightbox
CAS RN: 129288-34-2

(S)-4-[4-(tert-Butoxy)benzyl]oxazolidine-2,5-dione

  • Product code: SSC-036372
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 129288-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

129288-34-2 / (4S)-4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione

Standard CAS: 129288-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129288-34-2
Multi CAS
No
Molecular Formula
C14H17NO4
Molecular Weight
263.290000
Exact Mass
263.115758
SMILES
CC(C)(C)OC1=CC=C(C=C1)C[C@H]2C(=O)OC(=O)N2
InChI
InChI=1S/C14H17NO4/c1-14(2,3)19-10-6-4-9(5-7-10)8-11-12(16)18-13(17)15-11/h4-7,11H,8H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKey
FQFSTGPPRLSJGI-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.94
TPSA
64.63

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
2.5
Consensus LogP
2.11
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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