CAS RN: 65454-13-9
lateritin
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.20250801 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS65454-13-9
- Purity/Analytical Methods: >99.0%
65454-13-9 / 3-benzyl-4-methyl-6-propan-2-ylmorpholine-2,5-dione
Basic Information
CAS
65454-13-9
Multi CAS
Yes
Molecular Formula
C15H19NO3
Molecular Weight
261.320000
Exact Mass
261.136493
InChI
InChI=1S/C15H19NO3/c1-10(2)13-14(17)16(3)12(15(18)19-13)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3
InChIKey
YOKBTBNVNCFOBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
71.42
TPSA
46.61
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
2.8
Consensus LogP
1.96
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-3.15
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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