CAS RN: 1666116-57-9
Oxazole, 2,2′-methylenebis[4,5-dihydro-4-methyl-, (4S,4’S)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260504 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1666116-57-9
- Purity/Analytical Methods: >99.0%
1666116-57-9 / (4S)-4-methyl-2-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1666116-57-9
Multi CAS
No
Molecular Formula
C9H14N2O2
Molecular Weight
182.220000
Exact Mass
182.105528
SMILES
C[C@H]1COC(=N1)CC2=N[C@H](CO2)C
InChI
InChI=1S/C9H14N2O2/c1-6-4-12-8(10-6)3-9-11-7(2)5-13-9/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKey
KDZVGYUGUKPQFF-BQBZGAKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
50.32
TPSA
43.18
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
0.3
Consensus LogP
0.73
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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