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CAS 1803416-30-9 “2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-5-(trifluoromethyl)-Pyridine” molecular structure lightbox
CAS RN: 1803416-30-9

“2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-5-(trifluoromethyl)-Pyridine”

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250411 100mg In stock Shanghai Inquiry
Batchno.20260111 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250607 1g In stock Shanghai Inquiry
Batchno.20251114 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250103 50mg In stock Shanghai Inquiry
  • Product code: SSC-080771
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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 1803416-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1803416-30-9 / (4S)-4-propan-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

Standard CAS: 1803416-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1803416-30-9
Multi CAS
No
Molecular Formula
C12H13F3N2O
Molecular Weight
258.240000
Exact Mass
258.097998
SMILES
CC(C)[C@H]1COC(=N1)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H13F3N2O/c1-7(2)10-6-18-11(17-10)9-4-3-8(5-16-9)12(13,14)15/h3-5,7,10H,6H2,1-2H3/t10-/m1/s1
InChIKey
ILENSZIBAAQNCZ-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.35
TPSA
34.48

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-2.24

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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