CAS RN: 1329837-80-0
4-(4-AMinophenyl)-3-Morpholinone-d4
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.20251121 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1329837-80-0
- Purity/Analytical Methods: >99.0%
1329837-80-0 / 4-(4-amino-2,3,5,6-tetradeuteriophenyl)morpholin-3-one
Basic Information
CAS
1329837-80-0
Multi CAS
No
Molecular Formula
C10H12N2O2
Molecular Weight
196.240000
Exact Mass
196.114985
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])N2CCOCC2=O)[2H]
InChI
InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2/i1D,2D,3D,4D
InChIKey
MHCRLDZZHOVFEE-RHQRLBAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.03
TPSA
55.56
LogP / Solubility
WLOGP
0.63
MLOGP
0.56
XLogP3
0.3
Consensus LogP
0.5
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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