CAS RN: 117409-00-4
(R)-4-Cyclohexyl-2-(pyridin-2-yl)-4,5-dihydrooxazole
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260111 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS117409-00-4
- Purity/Analytical Methods: >99.0%
117409-00-4 / (4R)-4-cyclohexyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
2-[(4S)-4-Cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine
Basic Information
CAS
117409-00-4
Multi CAS
Yes
Molecular Formula
C14H18N2O
Molecular Weight
230.310000
Exact Mass
230.141913
SMILES
C1CCC(CC1)[C@@H]2COC(=N2)C3=CC=CC=N3
InChI
InChI=1S/C14H18N2O/c1-2-6-11(7-3-1)13-10-17-14(16-13)12-8-4-5-9-15-12/h4-5,8-9,11,13H,1-3,6-7,10H2/t13-/m0/s1
InChIKey
UDMCHJFTOGLLHO-ZDUSSCGKSA-N
Synonyms
2-[(4S)-4-Cyclohexyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
67.09
TPSA
34.48
LogP / Solubility
WLOGP
2.81
MLOGP
2.47
XLogP3
3.1
Consensus LogP
2.79
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.13
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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