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CAS 226387-12-8 2-[(4S)-4-(1,1-dimethylethyl)-4,5- dihydro-2-oxazolyl]-Quinoline molecular structure lightbox
CAS RN: 226387-12-8

2-[(4S)-4-(1,1-dimethylethyl)-4,5- dihydro-2-oxazolyl]-Quinoline

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250223 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251030 1g In stock Tianjin Inquiry
Batchno.20250105 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260610 5g In stock Shanghai Inquiry
  • Product code: SSC-110568
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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: ≥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 226387-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

226387-12-8 / (4S)-4-tert-butyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole

Standard CAS: 226387-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
226387-12-8
Multi CAS
No
Molecular Formula
C16H18N2O
Molecular Weight
254.330000
Exact Mass
254.141913
SMILES
CC(C)(C)[C@H]1COC(=N1)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H18N2O/c1-16(2,3)14-10-19-15(18-14)13-9-8-11-6-4-5-7-12(11)17-13/h4-9,14H,10H2,1-3H3/t14-/m1/s1
InChIKey
ZECIAWBAXVMXKI-CQSZACIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
77.48
TPSA
34.48

LogP / Solubility

WLOGP
3.43
MLOGP
3.02
XLogP3
3.8
Consensus LogP
3.42
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

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

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