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CAS 458563-75-2 1,2,2-Tris[(S)-4-isopropyl-4,5-dihydro-2-oxazolyl]propane molecular structure lightbox
CAS RN: 458563-75-2

1,2,2-Tris[(S)-4-isopropyl-4,5-dihydro-2-oxazolyl]propane

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250121 100mg Out of stock Inquiry
Batchno.20250501 1g Out of stock Inquiry
Batchno.20260206 250mg Out of stock Inquiry
  • Product code: SSC-153476
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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: 0.1g, 0.25g, 1g
  • 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 458563-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

458563-75-2 / (4S)-2-[1,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

Standard CAS: 458563-75-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
458563-75-2
Multi CAS
Yes
Molecular Formula
C21H35N3O3
Molecular Weight
377.500000
Exact Mass
377.267842
InChI
InChI=1S/C21H35N3O3/c1-12(2)15-9-25-18(22-15)8-21(7,19-23-16(10-26-19)13(3)4)20-24-17(11-27-20)14(5)6/h12-17H,8-11H2,1-7H3/t15-,16-,17-/m1/s1
InChIKey
ZLJMXDGDZUSSDE-BRWVUGGUSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.86
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
108.76
TPSA
64.77

LogP / Solubility

WLOGP
3.74
MLOGP
3.31
XLogP3
3.5
Consensus LogP
3.52
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.37

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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