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CAS 2374958-89-9 2,2′-Bioxazole, 4,4′,5,5′-tetrahydro-4,4′-bis(1-methylpropyl)-, (4S,4’S)- molecular structure lightbox
CAS RN: 2374958-89-9

2,2′-Bioxazole, 4,4′,5,5′-tetrahydro-4,4′-bis(1-methylpropyl)-, (4S,4’S)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250609 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-115387
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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: 1g
  • Available purity: ＞97%
  • 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 2374958-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

2374958-89-9 / (4S)-4-tert-butyl-2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole

Standard CAS: 2374958-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2374958-89-9
Multi CAS
No
Molecular Formula
C14H24N2O2
Molecular Weight
252.350000
Exact Mass
252.183778
SMILES
CC(C)(C)[C@H]1COC(=N1)C2=N[C@H](CO2)C(C)(C)C
InChI
InChI=1S/C14H24N2O2/c1-13(2,3)9-7-17-11(15-9)12-16-10(8-18-12)14(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKey
DMAXOMSMCSRQLF-NXEZZACHSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
73.26
TPSA
43.18

LogP / Solubility

WLOGP
2.67
MLOGP
2.36
XLogP3
3.3
Consensus LogP
2.78
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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