CAS RN: 289721-03-5
2-Oxazolamine,4,5-dihydro-4-(1-methylethyl)-,(4S)-(9CI)
- Product code: SSC-131063
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 | Beijing | Inquiry |
289721-03-5 / (4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-amine
Basic Information
CAS
289721-03-5
Multi CAS
No
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
InChI
InChI=1S/C6H12N2O/c1-4(2)5-3-9-6(7)8-5/h4-5H,3H2,1-2H3,(H2,7,8)/t5-/m1/s1
InChIKey
RKTWYSWYCPYDJG-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.2
TPSA
47.61
LogP / Solubility
WLOGP
0.36
MLOGP
0.3
XLogP3
0.6
Consensus LogP
0.42
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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