![CAS 133463-89-5 2,2′-Bioxazole, 4,4′,5,5′-tetrahydro-4,4′-bis[(1S)-1-methylpropyl]-, (4S,4’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/133463-89-5.gif)
CAS RN: 133463-89-5
2,2′-Bioxazole, 4,4′,5,5′-tetrahydro-4,4′-bis[(1S)-1-methylpropyl]-, (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.20250801 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS133463-89-5
- Purity/Analytical Methods: >99.0%
133463-89-5 / (4S)-4-[(2S)-butan-2-yl]-2-[(4S)-4-[(2S)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
133463-89-5
Multi CAS
No
Molecular Formula
C14H24N2O2
Molecular Weight
252.350000
Exact Mass
252.183778
SMILES
CC[C@H](C)[C@H]1COC(=N1)C2=N[C@H](CO2)[C@@H](C)CC
InChI
InChI=1S/C14H24N2O2/c1-5-9(3)11-7-17-13(15-11)14-16-12(8-18-14)10(4)6-2/h9-12H,5-8H2,1-4H3/t9-,10-,11+,12+/m0/s1
InChIKey
RRKVGDPHNBRCMZ-NNYUYHANSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
73.26
TPSA
43.18
LogP / Solubility
WLOGP
2.67
MLOGP
2.36
XLogP3
3.2
Consensus LogP
2.74
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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