CAS RN: 176650-25-2
Bis((S)-4-isobutyl-4,5-dihydrooxazol-2-yl)methane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260513 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS176650-25-2
- Purity/Analytical Methods: >99.0%
176650-25-2 / (4S)-4-(2-methylpropyl)-2-[[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
176650-25-2
Multi CAS
No
Molecular Formula
C15H26N2O2
Molecular Weight
266.380000
Exact Mass
266.199428
SMILES
CC(C)C[C@H]1COC(=N1)CC2=N[C@H](CO2)CC(C)C
InChI
InChI=1S/C15H26N2O2/c1-10(2)5-12-8-18-14(16-12)7-15-17-13(9-19-15)6-11(3)4/h10-13H,5-9H2,1-4H3/t12-,13-/m0/s1
InChIKey
MDPADFZCUFXZCL-STQMWFEESA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.87
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
77.88
TPSA
43.18
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
2.9
Consensus LogP
2.89
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.65
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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