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CAS 1416820-33-1 Pyridine, 2-[(4S)-4,5-dihydro-4-methyl-2-oxazolyl]-4-(trifluoromethyl)- molecular structure lightbox
CAS RN: 1416820-33-1

Pyridine, 2-[(4S)-4,5-dihydro-4-methyl-2-oxazolyl]-4-(trifluoromethyl)-

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251203 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260611 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-052247
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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 1416820-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1416820-33-1 / (4S)-4-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

Standard CAS: 1416820-33-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416820-33-1
Multi CAS
No
Molecular Formula
C10H9F3N2O
Molecular Weight
230.190000
Exact Mass
230.066697
SMILES
C[C@H]1COC(=N1)C2=NC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C10H9F3N2O/c1-6-5-16-9(15-6)8-4-7(2-3-14-8)10(11,12)13/h2-4,6H,5H2,1H3/t6-/m0/s1
InChIKey
RKQJMLTXHLVNGQ-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.19
TPSA
34.48

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
2
Consensus LogP
2.09
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

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

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