CAS RN: 2081883-57-8
Edoxaban Impurity 35
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.20260528 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2081883-57-8
- Purity/Analytical Methods: >99.0%
2081883-57-8 / tert-butyl N-[(1R,2S,5R)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
Basic Information
CAS
2081883-57-8
Multi CAS
No
Molecular Formula
C14H27N3O3
Molecular Weight
285.380000
Exact Mass
285.205242
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N)C(=O)N(C)C
InChI
InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5/h9-11H,6-8,15H2,1-5H3,(H,16,19)/t9-,10+,11-/m1/s1
InChIKey
JCHIBKSSZNWERE-OUAUKWLOSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.17
TPSA
84.66
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
0.4
Consensus LogP
0.82
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately 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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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