CAS RN: 958488-71-6
958488-71-6
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.20260413 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS958488-71-6
- Purity/Analytical Methods: >99.0%
958488-71-6 / tert-butyl N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]carbamate
Basic Information
CAS
958488-71-6
Multi CAS
Yes
Molecular Formula
C15H20N2O4
Molecular Weight
292.330000
Exact Mass
292.142307
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(19)16-10-9-20-12-8-6-5-7-11(12)17(4)13(10)18/h5-8,10H,9H2,1-4H3,(H,16,19)/t10-/m0/s1
InChIKey
BWMUFYSCJIEIBJ-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.5
TPSA
67.87
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.8
Consensus LogP
1.82
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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