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CAS 131864-68-1 2,6-Bis((R)-4-ethyl-4,5-dihydrooxazol-2-yl)pyridine molecular structure lightbox
CAS RN: 131864-68-1

2,6-Bis((R)-4-ethyl-4,5-dihydrooxazol-2-yl)pyridine

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260629 100mg In stock Shanghai Inquiry
Batchno.20250623 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250404 1g In stock Shanghai Inquiry
Batchno.20251206 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS131864-68-1
  • Purity/Analytical Methods: >99.0%
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131864-68-1 / (4R)-4-ethyl-2-[6-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

Standard CAS: 131864-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131864-68-1
Multi CAS
No
Molecular Formula
C15H19N3O2
Molecular Weight
273.330000
Exact Mass
273.147727
SMILES
CC[C@@H]1COC(=N1)C2=NC(=CC=C2)C3=N[C@@H](CO3)CC
InChI
InChI=1S/C15H19N3O2/c1-3-10-8-19-14(16-10)12-6-5-7-13(18-12)15-17-11(4-2)9-20-15/h5-7,10-11H,3-4,8-9H2,1-2H3/t10-,11-/m1/s1
InChIKey
NOSYFKOWSUXCIE-GHMZBOCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
77.37
TPSA
56.07

LogP / Solubility

WLOGP
2.19
MLOGP
1.94
XLogP3
2.4
Consensus LogP
2.18
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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