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CAS 1257527-14-2 (S)-5-CF3-pyrox-tBu molecular structure lightbox
CAS RN: 1257527-14-2

(S)-5-CF3-pyrox-tBu

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260207 100mg Out of stock Inquiry
Batchno.20250711 1g In stock Wuhan Inquiry
Batchno.20250727 250mg In stock Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260309 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1257527-14-2
  • Purity/Analytical Methods: >99.0%
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1257527-14-2 / (4S)-4-tert-butyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

Standard CAS: 1257527-14-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1257527-14-2
Multi CAS
No
Molecular Formula
C13H15F3N2O
Molecular Weight
272.270000
Exact Mass
272.113648
SMILES
CC(C)(C)[C@H]1COC(=N1)C2=NC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C13H15F3N2O/c1-12(2,3)10-7-19-11(18-10)9-6-8(4-5-17-9)13(14,15)16/h4-6,10H,7H2,1-3H3/t10-/m1/s1
InChIKey
ALYKOKFCPJUMPB-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
64.97
TPSA
34.48

LogP / Solubility

WLOGP
3.29
MLOGP
2.91
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

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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