CAS RN: 1928729-31-0
Edoxaban Impurity 20 (1R,2R,4S)
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.20250216 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1928729-31-0
- Purity/Analytical Methods: >99.0%
1928729-31-0 / tert-butyl N-[(1R,2R,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic acid
Basic Information
CAS
1928729-31-0
Multi CAS
No
Molecular Formula
C16H29N3O7
Molecular Weight
375.420000
Exact Mass
375.200550
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@H]1N)C(=O)N(C)C.C(=O)(C(=O)O)O
InChI
InChI=1S/C14H27N3O3.C2H2O4/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5;3-1(4)2(5)6/h9-11H,6-8,15H2,1-5H3,(H,16,19);(H,3,4)(H,5,6)/t9-,10+,11+;/m0./s1
InChIKey
IERZZGXDUZIMSC-RIAUZDOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
92.44
TPSA
159.26
LogP / Solubility
WLOGP
0.25
MLOGP
0.24
XLogP3
0.25
Consensus LogP
0.25
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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