CAS RN: 2328083-86-7
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2328083-86-7
- Purity/Analytical Methods: >99.0%
2328083-86-7 / propan-2-yl (4S)-2-[1-[(4S)-4-propan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
Basic Information
CAS
2328083-86-7
Multi CAS
No
Molecular Formula
C17H24N2O6
Molecular Weight
352.400000
Exact Mass
352.163436
SMILES
CC(C)OC(=O)[C@@H]1COC(=N1)C2(CC2)C3=N[C@@H](CO3)C(=O)OC(C)C
InChI
InChI=1S/C17H24N2O6/c1-9(2)24-13(20)11-7-22-15(18-11)17(5-6-17)16-19-12(8-23-16)14(21)25-10(3)4/h9-12H,5-8H2,1-4H3/t11-,12-/m0/s1
InChIKey
JNHLVSXLRZSBTG-RYUDHWBXSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.76
Rotatable bonds
6
H-bond acceptors
8
Molar refractivity
88.47
TPSA
95.78
LogP / Solubility
WLOGP
1.26
MLOGP
1.13
XLogP3
1.7
Consensus LogP
1.36
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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