![CAS 951322-68-2 “5-[1-[[(1R,2R)-2-aMino-1,2-diphenylethyl]aMino]ethylidene]-1,3-diMethyl- 2,4,6(1H,3H,5H)-PyriMidinetrione” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/951322-68-2.gif)
CAS RN: 951322-68-2
“5-[1-[[(1R,2R)-2-aMino-1,2-diphenylethyl]aMino]ethylidene]-1,3-diMethyl- 2,4,6(1H,3H,5H)-PyriMidinetrione”
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.20250206 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS951322-68-2
- Purity/Analytical Methods: >99.0%
951322-68-2 / 5-[N-[(1R,2R)-2-amino-1,2-diphenylethyl]-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
Basic Information
CAS
951322-68-2
Multi CAS
No
Molecular Formula
C22H24N4O3
Molecular Weight
392.500000
Exact Mass
392.184841
InChI
InChI=1S/C22H24N4O3/c1-14(17-20(27)25(2)22(29)26(3)21(17)28)24-19(16-12-8-5-9-13-16)18(23)15-10-6-4-7-11-15/h4-13,18-19,27H,23H2,1-3H3/t18-,19-/m1/s1
InChIKey
ZONCPILCNYJJBS-RTBURBONSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
113.35
TPSA
102.61
LogP / Solubility
WLOGP
2.04
MLOGP
1.82
XLogP3
1.5
Consensus LogP
1.79
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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