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CAS 1997306-77-0 (4S,5S)-4,5-Diphenyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole molecular structure lightbox
CAS RN: 1997306-77-0

(4S,5S)-4,5-Diphenyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250107 100mg In stock Inquiry
Batchno.20260324 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250918 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250714 1g Out of stock Inquiry
Batchno.20250511 250mg Out of stock Inquiry
  • Product code: SSC-094006
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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 1997306-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1997306-77-0 / (4S,5S)-4,5-diphenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

Standard CAS: 1997306-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1997306-77-0
Multi CAS
No
Molecular Formula
C21H15F3N2O
Molecular Weight
368.400000
Exact Mass
368.113648
SMILES
C1=CC=C(C=C1)[C@H]2[C@@H](OC(=N2)C3=NC=C(C=C3)C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C21H15F3N2O/c22-21(23,24)16-11-12-17(25-13-16)20-26-18(14-7-3-1-4-8-14)19(27-20)15-9-5-2-6-10-15/h1-13,18-19H/t18-,19-/m0/s1
InChIKey
QFLUMJQUCAPCRJ-OALUTQOASA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
95.23
TPSA
34.48

LogP / Solubility

WLOGP
5.36
MLOGP
4.74
XLogP3
4.8
Consensus LogP
4.97
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
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)
-1.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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