CAS RN: 138429-17-1
2,2′-Bioxazole, 4,4′,5,5′-tetrahydro-4,4′-bis(2-methylpropyl)-, (4S,4’S)- (9CI)
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.20251026 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-048411
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
138429-17-1 / (4S)-4-(2-methylpropyl)-2-[(4S)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
138429-17-1
Multi CAS
No
Molecular Formula
C14H24N2O2
Molecular Weight
252.350000
Exact Mass
252.183778
SMILES
CC(C)C[C@H]1COC(=N1)C2=N[C@H](CO2)CC(C)C
InChI
InChI=1S/C14H24N2O2/c1-9(2)5-11-7-17-13(15-11)14-16-12(8-18-14)6-10(3)4/h9-12H,5-8H2,1-4H3/t11-,12-/m0/s1
InChIKey
RELXGRFLZXEAEF-RYUDHWBXSA-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
2.5
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