CAS RN: 1369969-44-7
Rivaroxaban Impurity 27
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.20250730 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1369969-44-7
- Purity/Analytical Methods: >99.0%
1369969-44-7 / 2-[(2S)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione
Basic Information
CAS
1369969-44-7
Multi CAS
No
Molecular Formula
C21H21N3O5
Molecular Weight
395.400000
Exact Mass
395.148121
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)NC[C@@H](CN3C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m0/s1
InChIKey
CKFVSMPWXAASIQ-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
105.92
TPSA
99.18
LogP / Solubility
WLOGP
1.12
MLOGP
1.01
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-4.34
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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