CAS RN: 2244103-96-4
Edoxaban Impurity 29
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.20260302 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2244103-96-4
- Purity/Analytical Methods: >99.0%
2244103-96-4 / N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)amino]cyclohexyl]oxamide
Basic Information
CAS
2244103-96-4
Multi CAS
No
Molecular Formula
C24H30ClN7O5S
Molecular Weight
564.100000
Exact Mass
563.171766
SMILES
CN(C)C(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)C2=NC3=C(S2)C[N+](CC3)(C)[O-])NC(=O)C(=O)NC4=NC=C(C=C4)Cl
InChI
InChI=1S/C24H30ClN7O5S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3,37)12-18(16)38-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+,32?/m0/s1
InChIKey
VXYMWDLQMMPOMS-QDYCCJOXSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
141.04
TPSA
156.45
LogP / Solubility
WLOGP
1.3
MLOGP
1.19
XLogP3
0.9
Consensus LogP
1.13
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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